N-[2-[[2-(3-methylphenoxy)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide

C22H26N2O3 — CID 86897083

IUPACN-[2-[[2-(3-methylphenoxy)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide
SMILESCc1cccc(Oc2ccccc2CNC(=O)CNC(=O)C2CCCC2)c1
InChIInChI=1S/C22H26N2O3/c1-16-7-6-11-19(13-16)27-20-12-5-4-10-18(20)14-23-21(25)15-24-22(26)17-8-2-3-9-17/h4-7,10-13,17H,2-3,8-9,14-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyMMNKMWKNIPRZTN-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.71
Rot. Bonds7

About N-[2-[[2-(3-methylphenoxy)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide

N-[2-[[2-(3-methylphenoxy)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide (PubChem CID 86897083) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[2-[[2-(3-methylphenoxy)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[[2-(3-methylphenoxy)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide
PubChem CID86897083
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[2-[[2-(3-methylphenoxy)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide
SMILESCc1cccc(Oc2ccccc2CNC(=O)CNC(=O)C2CCCC2)c1
InChIInChI=1S/C22H26N2O3/c1-16-7-6-11-19(13-16)27-20-12-5-4-10-18(20)14-23-21(25)15-24-22(26)17-8-2-3-9-17/h4-7,10-13,17H,2-3,8-9,14-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyMMNKMWKNIPRZTN-UHFFFAOYSA-N
XLogP3.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[[2-(3-methylphenoxy)phenyl]methylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 86896713
2-chloro-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide
CID 146085901
2-(2-methoxyethylamino)-N-[[2-(3-methylphenoxy)phenyl]methyl]acetamide
CID 119777851
1-[[2-(3-methylphenoxy)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122001141
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 5167507
N-[[2-(3-methylphenoxy)phenyl]methyl]but-2-ynamide
CID 146083553
N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 18105806
N-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119777833
2-(cyclopropylmethylamino)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 119756337
N-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine
CID 43283112
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]cyclohexanecarboxamide
CID 110441771
N-[2-oxo-2-(2-phenoxyanilino)ethyl]cyclopropanecarboxamide
CID 42697207

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3-methylphenoxy)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[[2-(3-methylphenoxy)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide (CID 86897083) is N-[2-[[2-(3-methylphenoxy)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[[2-(3-methylphenoxy)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[[2-(3-methylphenoxy)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide is Cc1cccc(Oc2ccccc2CNC(=O)CNC(=O)C2CCCC2)c1.
What is the InChIKey of N-[2-[[2-(3-methylphenoxy)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide?
The InChIKey is MMNKMWKNIPRZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16-7-6-11-19(13-16)27-20-12-5-4-10-18(20)14-23-21(25)15-24-22(26)17-8-2-3-9-17/h4-7,10-13,17H,2-3,8-9,14-15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-[[2-(3-methylphenoxy)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide?
N-[2-[[2-(3-methylphenoxy)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3-methylphenoxy)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide is sourced from PubChem (CID 86897083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).