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Chemical ID: 4563769

CCC(=O)N(CCC(c1ccccc1)c2ccc(cc2)OC(C)C)Cc3ccccc3

Chemical ID:

4563769

Name [?]:

N-benzyl-N-[3-(4-isopropoxyphenyl)-3-phenyl-propyl]-propanamide

SMILES [?]:

CCC(=O)N(CCC(c1ccccc1)c2ccc(cc2)OC(C)C)Cc3ccccc3

InChi [?]:

InChI=1/C28H33NO2/c1-4-28(30)29(21-23-11-7-5-8-12-23)20-19-27(24-13-9-6-10-14-24)25-15-17-26(18-16-25)31-22(2)3/h5-18,22,27H,4,19-21H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,23,24,2,29,12,28,30,11,13,27,31,10,14,16,20,17,19,7,6,25,22,26,9,15,18,8,3,5,4,21/E:(2,3)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:31cCCCONCCCCCCCCCCCCCCCOCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s8;s15;d16;s17;d18;d15s19;s18;s21;s22;s22;s5;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₃NO₂
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	13.153
Area:	678.782
Solvation:	-3.81653
Coulombic:	-28.0645

Bond Count [?]

All:	33
Single:	23
Double:	10
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	415.567
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	6.33
LogP (Chemaxon):	6.34

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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