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Chemical ID: 5853657

Chemical ID:

5853657

Name [?]:

N-(2,5-dimethylphenyl)-N'-[(4-methoxyphenyl)methyl]oxamide

SMILES [?]:

Cc1ccc(c(c1)NC(=O)C(=O)NCc2ccc(cc2)OC)C

InChi [?]:

InChI=1/C18H20N2O3/c1-12-4-5-13(2)16(10-12)20-18(22)17(21)19-11-14-6-8-15(23-3)9-7-14/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,23,22,3,4,16,20,17,19,7,14,2,5,15,18,6,11,9,13,8,12,10,21/E:(6,7)(8,9)/rA:23nCCCCCCCNCOCONCCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₀N₂O₃
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3066
Area:	542.745
Solvation:	-3.26203
Coulombic:	-54.8996

Bond Count [?]

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

Chemical Properties

Molecular Weight:	312.363
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	2.75
LogP (Chemaxon):	2.49

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