ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7029274

Chemical ID:

7029274

Name [?]:

2-[1-(dimethylcarbamoylmethyl)cyclopentyl]-N-ethyl-acetamide

SMILES [?]:

CCNC(=O)CC1(CCCC1)CC(=O)N(C)C

InChi [?]:

InChI=1/C13H24N2O2/c1-4-14-11(16)9-13(7-5-6-8-13)10-12(17)15(2)3/h4-10H2,1-3H3,(H,14,16)

InChi Info:

AuxInfo=1/1/N:1,16,17,2,9,10,8,11,6,12,4,13,7,3,15,5,14/E:(2,3)(5,6)(7,8)/rA:17nCCNCOCCCCCCCCONCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s7s10;s7;s12;d13;s13;s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₂₄N₂O₂
All Atoms:	41
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	8.80615
Area:	439.68
Solvation:	-2.18584
Coulombic:	-36.5021

Bond Count [?]

All:	17
Single:	15
Double:	2
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	240.342
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	1.71
LogP (Chemaxon):	0.42

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