N-(1-cyanoethyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide

C17H22N2O3 — CID 84597029

IUPACN-(1-cyanoethyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NC(C)C#N)CCCC2)cc1OC
InChIInChI=1S/C17H22N2O3/c1-12(11-18)19-16(20)17(8-4-5-9-17)13-6-7-14(21-2)15(10-13)22-3/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,19,20)
InChIKeyCOXWRDZHMYUELO-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.54
Rot. Bonds5

About N-(1-cyanoethyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide

N-(1-cyanoethyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide (PubChem CID 84597029) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(1-cyanoethyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
PubChem CID84597029
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(1-cyanoethyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NC(C)C#N)CCCC2)cc1OC
InChIInChI=1S/C17H22N2O3/c1-12(11-18)19-16(20)17(8-4-5-9-17)13-6-7-14(21-2)15(10-13)22-3/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,19,20)
InChIKeyCOXWRDZHMYUELO-UHFFFAOYSA-N
XLogP2.54
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 110438039
N-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 1324116
N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 1329491
1-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 1234744
N-[(2S)-1-amino-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide
CID 95342006
N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 2014049
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 119062092
1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide
CID 116844399
1-(3,4-dimethoxyphenyl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]cyclopentane-1-carboxamide
CID 91791815
4-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
CID 42648874
ethyl 4-[[1-(3,4-dimethoxyphenyl)cyclopentanecarbonyl]amino]benzoate
CID 1147522
methyl 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylate
CID 146506690

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(1-cyanoethyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide (CID 84597029) is N-(1-cyanoethyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(1-cyanoethyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(1-cyanoethyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide is COc1ccc(C2(C(=O)NC(C)C#N)CCCC2)cc1OC.
What is the InChIKey of N-(1-cyanoethyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide?
The InChIKey is COXWRDZHMYUELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12(11-18)19-16(20)17(8-4-5-9-17)13-6-7-14(21-2)15(10-13)22-3/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,19,20).
What are the key properties of N-(1-cyanoethyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide?
N-(1-cyanoethyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 84597029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).