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Chemical ID: 4377280

CCC(=O)N(CCC1(CCOC(C1)(C)C)c2ccccc2)Cc3ccc(cc3)OC(C)C

Chemical ID:

4377280

Name [?]:

N-[2-(2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl)ethyl]-N-[(4-isopropoxyphenyl)methyl]propanamide

SMILES [?]:

CCC(=O)N(CCC1(CCOC(C1)(C)C)c2ccccc2)Cc3ccc(cc3)OC(C)C

InChi [?]:

InChI=1/C28H39NO3/c1-6-26(30)29(20-23-12-14-25(15-13-23)32-22(2)3)18-16-28(24-10-8-7-9-11-24)17-19-31-27(4,5)21-28/h7-15,22H,6,16-21H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,31,32,14,15,2,19,18,20,17,21,24,28,25,27,7,9,6,10,22,13,30,23,16,26,3,12,8,5,4,11,29/E:(2,3)(4,5)(8,9)(10,11)(12,13)(14,15)/rA:32cCCCONCCCCCOCCCCCCCCCCCCCCCCCOCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;s11;s8s12;s12;s12;s8;s16;d17;s18;d19;d16s20;s5;s22;s23;d24;s25;d26;d23s27;s26;s29;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₉NO₃
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	11.9486
Area:	662.554
Solvation:	-4.61523
Coulombic:	-34.3013

Bond Count [?]

All:	34
Single:	27
Double:	7
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	437.614
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	5.68
LogP (Chemaxon):	5.09

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value