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Chemical ID: 4213880

Chemical ID:

4213880

Name [?]:

N'-[(4-methoxyphenyl)methyl]-N-propyl-oxamide

SMILES [?]:

CCCNC(=O)C(=O)NCc1ccc(cc1)OC

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,18,2,12,16,13,15,3,10,11,14,5,7,4,9,6,8,17/E:(4,5)(6,7)/rA:18nCCCNCOCONCCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	8.82566
Area:	476.432
Solvation:	-3.08515
Coulombic:	-55.0566

Bond Count [?]

All:	18
Single:	13
Double:	5
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	250.294
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	1.3
LogP (Chemaxon):	0.86

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value