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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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).