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Chemical ID: 4211818

Chemical ID:

4211818

Name [?]:

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

SMILES [?]:

COc1ccc(cc1)CNC(=O)C(=O)NC2CCCCCC2

InChi [?]:

InChI=1/C17H24N2O3/c1-22-15-10-8-13(9-11-15)12-18-16(20)17(21)19-14-6-4-2-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H,18,20)(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,19,20,18,21,17,22,5,7,4,8,9,6,16,3,11,13,10,15,12,14,2/E:(2,3)(4,5)(6,7)(8,9)(10,11)/rA:22nCOCCCCCCCNCOCONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;d13;s13;s15;s16;s17;s18;s19;s20;s16s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₄N₂O₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1858
Area:	530.357
Solvation:	-3.07309
Coulombic:	-55.8085

Bond Count [?]

All:	23
Single:	18
Double:	5
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	304.384
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	2.91
LogP (Chemaxon):	2.03

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