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Chemical ID: 6813099

Chemical ID:

6813099

Name [?]:

N-(2,5-dimethylphenyl)-N'-(3-hydroxypropyl)oxamide

SMILES [?]:

Cc1ccc(c(c1)NC(=O)C(=O)NCCCO)C

InChi [?]:

InChI=1/C13H18N2O3/c1-9-4-5-10(2)11(8-9)15-13(18)12(17)14-6-3-7-16/h4-5,8,16H,3,6-7H2,1-2H3,(H,14,17)(H,15,18)

InChi Info:

AuxInfo=1/1/N:1,18,15,3,4,14,16,7,2,5,6,11,9,13,8,17,12,10/rA:18nCCCCCCCNCOCONCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;d11;s11;s13;s14;s15;s16;s5;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₈N₂O₃
All Atoms:	36
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	8.66193
Area:	465.634
Solvation:	-2.97891
Coulombic:	-63.0648

Bond Count [?]

All:	18
Single:	13
Double:	5
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	250.294
H-Bond Donors:	3
H-Bond Acceptors:	5
XLogP:	0.77
LogP (Chemaxon):	0.57

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