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Chemical ID: 6431863

CCCCOc1ccc(cc1)C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C

Chemical ID:

6431863

Name [?]:

N-[(4-butoxyphenyl)-(2,2-dimethylpropanoylamino)methyl]-2,2-dimethyl-propanamide

SMILES [?]:

CCCCOc1ccc(cc1)C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C

InChi [?]:

InChI=1/C21H34N2O3/c1-8-9-14-26-16-12-10-15(11-13-16)17(22-18(24)20(2,3)4)23-19(25)21(5,6)7/h10-13,17H,8-9,14H2,1-7H3,(H,22,24)(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,17,18,19,24,25,26,2,3,8,10,7,11,4,9,6,12,14,21,16,23,13,20,15,22,5/E:(2,3,4,5,6,7)(10,11)(12,13)(18,19)(20,21)(22,23)(24,25)/gE:(1,2)/rA:26nCCCCOCCCCCCCNCOCCCCNCOCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s14;s16;s16;s16;s12;s20;d21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₃₄N₂O₃
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1182
Area:	620.761
Solvation:	-4.40085
Coulombic:	-50.7809

Bond Count [?]

All:	26
Single:	21
Double:	5
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	362.506
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.92
LogP (Chemaxon):	5.03

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