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Chemical ID: 7272528

Chemical ID:

7272528

Name [?]:

N-cycloheptyl-3,5-dimethoxy-4-methyl-benzamide

SMILES [?]:

Cc1c(cc(cc1OC)C(=O)NC2CCCCCC2)OC

InChi [?]:

InChI=1/C17H25NO3/c1-12-15(20-2)10-13(11-16(12)21-3)17(19)18-14-8-6-4-5-7-9-14/h10-11,14H,4-9H2,1-3H3,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,9,21,16,17,15,18,14,19,6,4,2,5,13,7,3,10,12,11,8,20/E:(2,3)(4,5)(6,7)(8,9)(10,11)(15,16)(20,21)/rA:21nCCCCCCCOCCONCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s5;d10;s10;s12;s13;s14;s15;s16;s17;s13s18;s3;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₅NO₃
All Atoms:	46
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.43536
Area:	494.172
Solvation:	-3.91893
Coulombic:	-36.5501

Bond Count [?]

All:	22
Single:	18
Double:	4
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	291.385
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.88
LogP (Chemaxon):	2.89

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