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Chemical ID: 4213791

Chemical ID:

4213791

Name [?]:

N'-(3,4-dimethylphenyl)-N-[(4-ethylphenyl)methyl]oxamide

SMILES [?]:

CCc1ccc(cc1)CNC(=O)C(=O)Nc2ccc(c(c2)C)C

InChi [?]:

InChI=1/C19H22N2O2/c1-4-15-6-8-16(9-7-15)12-20-18(22)19(23)21-17-10-5-13(2)14(3)11-17/h5-11H,4,12H2,1-3H3,(H,20,22)(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,23,22,2,18,4,8,5,7,17,21,9,19,20,3,6,16,11,13,10,15,12,14/E:(6,7)(8,9)/rA:23nCCCCCCCCCNCOCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₂N₂O₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	11.9246
Area:	555.478
Solvation:	-1.9624
Coulombic:	-48.5976

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	310.39
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	3.94
LogP (Chemaxon):	4.26

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value