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Chemical ID: 7268183

Chemical ID:

7268183

Name [?]:

N-(2,4-dimethylphenyl)-2-(2,3-dimethylphenyl)amino-acetamide

SMILES [?]:

Cc1ccc(c(c1)C)NC(=O)CNc2cccc(c2C)C

InChi [?]:

InChI=1/C18H22N2O/c1-12-8-9-16(14(3)10-12)20-18(21)11-19-17-7-5-6-13(2)15(17)4/h5-10,19H,11H2,1-4H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,21,8,20,16,17,15,3,4,7,12,2,18,6,19,5,14,10,13,9,11/rA:21nCCCCCCCCNCOCNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₂N₂O
All Atoms:	43
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1363
Area:	506.396
Solvation:	-2.52355
Coulombic:	-33.4313

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	282.38
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	3.73
LogP (Chemaxon):	3.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value