N,N-dimethyl-1-(2-methylphenoxy)cyclopentane-1-carboxamide

C15H21NO2 — CID 59117166

IUPACN,N-dimethyl-1-(2-methylphenoxy)cyclopentane-1-carboxamide
SMILESCc1ccccc1OC1(C(=O)N(C)C)CCCC1
InChIInChI=1S/C15H21NO2/c1-12-8-4-5-9-13(12)18-15(10-6-7-11-15)14(17)16(2)3/h4-5,8-9H,6-7,10-11H2,1-3H3
InChIKeyXNQQGOBOKSYUJU-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.77
Rot. Bonds3

About N,N-dimethyl-1-(2-methylphenoxy)cyclopentane-1-carboxamide

N,N-dimethyl-1-(2-methylphenoxy)cyclopentane-1-carboxamide (PubChem CID 59117166) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methylphenoxy)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methylphenoxy)cyclopentane-1-carboxamide
PubChem CID59117166
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN,N-dimethyl-1-(2-methylphenoxy)cyclopentane-1-carboxamide
SMILESCc1ccccc1OC1(C(=O)N(C)C)CCCC1
InChIInChI=1S/C15H21NO2/c1-12-8-4-5-9-13(12)18-15(10-6-7-11-15)14(17)16(2)3/h4-5,8-9H,6-7,10-11H2,1-3H3
InChIKeyXNQQGOBOKSYUJU-UHFFFAOYSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-methylphenoxy)-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 170529736
1-[2-(dimethylamino)acetyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid
CID 56905537
1-(2-methoxyphenoxy)cyclopentane-1-carboxylic acid
CID 82129517
1-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119274527
1-(2-methoxyphenyl)-N,N-dimethylcyclobutane-1-carboxamide
CID 110436778
1-(2-ethoxyphenoxy)cyclopentane-1-carboxylic acid
CID 82131439
4-(2-methylphenoxy)-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 56901351
4-(2-methylphenoxy)-1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidine-4-carboxylic acid
CID 95862242
N-methyl-N-(2-methylphenoxy)acetamide
CID 152851685
1-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119695596
4-(2-methylphenoxy)-1-[(2S)-2-pyrrol-1-ylpropanoyl]piperidine-4-carboxylic acid
CID 95867518
4-(2-methylphenoxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid
CID 56889702

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-methylphenoxy)cyclopentane-1-carboxamide?
The IUPAC name of N,N-dimethyl-1-(2-methylphenoxy)cyclopentane-1-carboxamide (CID 59117166) is N,N-dimethyl-1-(2-methylphenoxy)cyclopentane-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(2-methylphenoxy)cyclopentane-1-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(2-methylphenoxy)cyclopentane-1-carboxamide is Cc1ccccc1OC1(C(=O)N(C)C)CCCC1.
What is the InChIKey of N,N-dimethyl-1-(2-methylphenoxy)cyclopentane-1-carboxamide?
The InChIKey is XNQQGOBOKSYUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-8-4-5-9-13(12)18-15(10-6-7-11-15)14(17)16(2)3/h4-5,8-9H,6-7,10-11H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(2-methylphenoxy)cyclopentane-1-carboxamide?
N,N-dimethyl-1-(2-methylphenoxy)cyclopentane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-methylphenoxy)cyclopentane-1-carboxamide is sourced from PubChem (CID 59117166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).