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Chemical ID: 6331280

Chemical ID:

6331280

Name [?]:

N-[1-(3-methoxyphenyl)ethyl]-2-methyl-cyclopropane-1-carboxamide

SMILES [?]:

CC1CC1C(=O)NC(C)c2cccc(c2)OC

InChi [?]:

InChI=1/C14H19NO2/c1-9-7-13(9)14(16)15-10(2)11-5-4-6-12(8-11)17-3/h4-6,8-10,13H,7H2,1-3H3,(H,15,16)

InChi Info:

AuxInfo=1/1/N:1,9,17,12,11,13,3,15,2,8,10,14,4,5,7,6,16/rA:17cCCCCCONCCCCCCCCOC/rB:s1;s2;s2s3;s4;d5;s5;s7;s8;s8;s10;d11;s12;d13;d10s14;s14;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₉NO₂
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	3

ZAP Information [?]

Total:	7.91201
Area:	436.466
Solvation:	-2.99963
Coulombic:	-28.9057

Bond Count [?]

All:	18
Single:	14
Double:	4
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	233.306
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.58
LogP (Chemaxon):	2.17

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