1-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide

C17H22N2O3 — CID 51246302

IUPAC1-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(CCNC(=O)C2(C#N)CCCC2)cc1OC
InChIInChI=1S/C17H22N2O3/c1-21-14-6-5-13(11-15(14)22-2)7-10-19-16(20)17(12-18)8-3-4-9-17/h5-6,11H,3-4,7-10H2,1-2H3,(H,19,20)
InChIKeyLMTRWANYMFPCCJ-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.45
Rot. Bonds6

About 1-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide

1-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide (PubChem CID 51246302) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
PubChem CID51246302
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCOc1ccc(CCNC(=O)C2(C#N)CCCC2)cc1OC
InChIInChI=1S/C17H22N2O3/c1-21-14-6-5-13(11-15(14)22-2)7-10-19-16(20)17(12-18)8-3-4-9-17/h5-6,11H,3-4,7-10H2,1-2H3,(H,19,20)
InChIKeyLMTRWANYMFPCCJ-UHFFFAOYSA-N
XLogP2.45
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 65466544
1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 78994342
1-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096402
1-cyano-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 29240913
1-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 80587959
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
1-carbamothioyl-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 80593163
1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 78994979
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
N-(2-cyanoethyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]acetamide
CID 28569763
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195
2,2,2-trichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 885653

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide (CID 51246302) is 1-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide is COc1ccc(CCNC(=O)C2(C#N)CCCC2)cc1OC.
What is the InChIKey of 1-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is LMTRWANYMFPCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-21-14-6-5-13(11-15(14)22-2)7-10-19-16(20)17(12-18)8-3-4-9-17/h5-6,11H,3-4,7-10H2,1-2H3,(H,19,20).
What are the key properties of 1-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide?
1-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 51246302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).