N-cyclopentyl-2-(N-ethyl-3-methylanilino)-2-phenylacetamide

C22H28N2O — CID 4177926

IUPACN-cyclopentyl-2-(N-ethyl-3-methylanilino)-2-phenylacetamide
SMILESCCN(c1cccc(C)c1)C(C(=O)NC1CCCC1)c1ccccc1
InChIInChI=1S/C22H28N2O/c1-3-24(20-15-9-10-17(2)16-20)21(18-11-5-4-6-12-18)22(25)23-19-13-7-8-14-19/h4-6,9-12,15-16,19,21H,3,7-8,13-14H2,1-2H3,(H,23,25)
InChIKeyOIDTZZUCHKGRND-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.62
Rot. Bonds6

About N-cyclopentyl-2-(N-ethyl-3-methylanilino)-2-phenylacetamide

N-cyclopentyl-2-(N-ethyl-3-methylanilino)-2-phenylacetamide (PubChem CID 4177926) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-cyclopentyl-2-(N-ethyl-3-methylanilino)-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(N-ethyl-3-methylanilino)-2-phenylacetamide
PubChem CID4177926
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-cyclopentyl-2-(N-ethyl-3-methylanilino)-2-phenylacetamide
SMILESCCN(c1cccc(C)c1)C(C(=O)NC1CCCC1)c1ccccc1
InChIInChI=1S/C22H28N2O/c1-3-24(20-15-9-10-17(2)16-20)21(18-11-5-4-6-12-18)22(25)23-19-13-7-8-14-19/h4-6,9-12,15-16,19,21H,3,7-8,13-14H2,1-2H3,(H,23,25)
InChIKeyOIDTZZUCHKGRND-UHFFFAOYSA-N
XLogP4.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 1457868
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 3219206
N-cyclohexyl-2-(N-ethyl-3-methylanilino)-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide
CID 4644709
N-cyclopentyl-2-(4-methylphenyl)-2-(N-prop-2-enylanilino)acetamide
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CID 84751400
N-cycloheptyl-2-(N-ethyl-3-methylanilino)acetamide
CID 109005664
1-N-cyclopentyl-2-N-ethyl-2-N-(3-methylphenyl)propane-1,2-diamine
CID 62570686
N-cyclopentyl-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108942305
N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3-methylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 25458672
(2S)-N-cyclohexyl-2-(4-hydroxyphenyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1168238
N-[(1R)-2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 25410833
2-(N-ethyl-3-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid
CID 84748785

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(N-ethyl-3-methylanilino)-2-phenylacetamide?
The IUPAC name of N-cyclopentyl-2-(N-ethyl-3-methylanilino)-2-phenylacetamide (CID 4177926) is N-cyclopentyl-2-(N-ethyl-3-methylanilino)-2-phenylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(N-ethyl-3-methylanilino)-2-phenylacetamide?
The canonical SMILES for N-cyclopentyl-2-(N-ethyl-3-methylanilino)-2-phenylacetamide is CCN(c1cccc(C)c1)C(C(=O)NC1CCCC1)c1ccccc1.
What is the InChIKey of N-cyclopentyl-2-(N-ethyl-3-methylanilino)-2-phenylacetamide?
The InChIKey is OIDTZZUCHKGRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-3-24(20-15-9-10-17(2)16-20)21(18-11-5-4-6-12-18)22(25)23-19-13-7-8-14-19/h4-6,9-12,15-16,19,21H,3,7-8,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-cyclopentyl-2-(N-ethyl-3-methylanilino)-2-phenylacetamide?
N-cyclopentyl-2-(N-ethyl-3-methylanilino)-2-phenylacetamide has a molecular weight of 336.48 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(N-ethyl-3-methylanilino)-2-phenylacetamide is sourced from PubChem (CID 4177926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).