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Chemical ID: 4213778

Chemical ID:

4213778

Name [?]:

N'-(benzo[1,3]dioxol-5-ylmethyl)-N-propyl-oxamide

SMILES [?]:

CCCNC(=O)C(=O)NCc1ccc2c(c1)OCO2

InChi [?]:

InChI=1/C13H16N2O4/c1-2-5-14-12(16)13(17)15-7-9-3-4-10-11(6-9)19-8-18-10/h3-4,6H,2,5,7-8H2,1H3,(H,14,16)(H,15,17)

InChi Info:

AuxInfo=1/1/N:1,2,12,13,3,16,10,18,11,14,15,5,7,4,9,6,8,19,17/rA:19nCCCNCOCONCCCCCCCOCO/rB:s1;s2;s3;s4;d5;s5;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₆N₂O₄
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	8.63791
Area:	478.446
Solvation:	-3.32324
Coulombic:	-63.6294

Bond Count [?]

All:	20
Single:	15
Double:	5
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	264.277
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	1.14
LogP (Chemaxon):	0.79

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