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Chemical ID: 4248131

Chemical ID:

4248131

Name [?]:

N-(4-methoxyphenyl)-3,3-dimethyl-2-oxo-norbornane-1-carboxamide

SMILES [?]:

CC1(C2CCC(C2)(C1=O)C(=O)Nc3ccc(cc3)OC)C

InChi [?]:

InChI=1/C17H21NO3/c1-16(2)11-8-9-17(10-11,14(16)19)15(20)18-12-4-6-13(21-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,18,20)

InChi Info:

AuxInfo=1/1/N:1,21,20,14,18,15,17,4,5,7,3,13,16,8,10,2,6,12,9,11,19/E:(1,2)(4,5)(6,7)/rA:21cCCCCCCCCOCONCCCCCCOCC/rB:s1;s2;s3;s4;s5;s3s6;s2s6;d8;s6;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s2;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₁NO₃
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	2

ZAP Information [?]

Total:	7.89819
Area:	472.433
Solvation:	-3.91264
Coulombic:	-35.4286

Bond Count [?]

All:	23
Single:	18
Double:	5
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	287.354
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.16
LogP (Chemaxon):	3.93

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