1-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide

C17H22N2O2 — CID 134031079

IUPAC1-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)C2(C#N)CCCC2)c1
InChIInChI=1S/C17H22N2O2/c1-14-6-5-7-15(12-14)21-11-10-19(2)16(20)17(13-18)8-3-4-9-17/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeyDLYQZXYKKJXWDR-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.92
Rot. Bonds5

About 1-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide

1-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide (PubChem CID 134031079) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide
PubChem CID134031079
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)C2(C#N)CCCC2)c1
InChIInChI=1S/C17H22N2O2/c1-14-6-5-7-15(12-14)21-11-10-19(2)16(20)17(13-18)8-3-4-9-17/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeyDLYQZXYKKJXWDR-UHFFFAOYSA-N
XLogP2.92
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclohexyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 18094806
4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 119695687
1-cyano-N-(2-methoxyethyl)-N-methylcyclohexane-1-carboxamide
CID 61461914
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012
1-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]cyclopentan-1-ol
CID 115669684
2-(cyclopropylamino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 54872517
N-[2-(3-chlorophenoxy)ethyl]-N,1-dimethylcyclopentane-1-carboxamide
CID 55480704
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62492492
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate
CID 112738751
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide (CID 134031079) is 1-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide is Cc1cccc(OCCN(C)C(=O)C2(C#N)CCCC2)c1.
What is the InChIKey of 1-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide?
The InChIKey is DLYQZXYKKJXWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-14-6-5-7-15(12-14)21-11-10-19(2)16(20)17(13-18)8-3-4-9-17/h5-7,12H,3-4,8-11H2,1-2H3.
What are the key properties of 1-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide?
1-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 134031079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).