3-(2-aminophenyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide

C23H31N3O — CID 120613142

IUPAC3-(2-aminophenyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide
SMILESCC(NC1(CNC(=O)CCc2ccccc2N)CCCC1)c1ccccc1
InChIInChI=1S/C23H31N3O/c1-18(19-9-3-2-4-10-19)26-23(15-7-8-16-23)17-25-22(27)14-13-20-11-5-6-12-21(20)24/h2-6,9-12,18,26H,7-8,13-17,24H2,1H3,(H,25,27)
InChIKeyOTZWCFKSPQBJPK-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.98
Rot. Bonds8

About 3-(2-aminophenyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide

3-(2-aminophenyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide (PubChem CID 120613142) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide
PubChem CID120613142
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name3-(2-aminophenyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide
SMILESCC(NC1(CNC(=O)CCc2ccccc2N)CCCC1)c1ccccc1
InChIInChI=1S/C23H31N3O/c1-18(19-9-3-2-4-10-19)26-23(15-7-8-16-23)17-25-22(27)14-13-20-11-5-6-12-21(20)24/h2-6,9-12,18,26H,7-8,13-17,24H2,1H3,(H,25,27)
InChIKeyOTZWCFKSPQBJPK-UHFFFAOYSA-N
XLogP3.98
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide
CID 119884570
3-(2-aminophenyl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]propanamide
CID 120610868
2-[1-[[3-(2-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 107273261
2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride
CID 119884525
2-(1,3-dioxan-2-yl)-N-[[1-[[(1R)-1-phenylethyl]amino]cyclopentyl]methyl]acetamide
CID 124625809
1-[[3-(2-aminophenyl)propanoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydrochloride
CID 120610787
1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea
CID 111438810
(2S)-2-imidazol-1-yl-N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]propanamide
CID 95618458
3-(2-aminophenyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]propanamide
CID 120611837
3-(2-aminophenyl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 120611838
3-(2-aminophenyl)-N-[(1-phenylsulfanylcyclopropyl)methyl]propanamide
CID 120610683
3-(2-aminophenyl)-N-(4-hydroxy-2-phenylpentyl)propanamide;hydrochloride
CID 120611894

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide (CID 120613142) is 3-(2-aminophenyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide is CC(NC1(CNC(=O)CCc2ccccc2N)CCCC1)c1ccccc1.
What is the InChIKey of 3-(2-aminophenyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide?
The InChIKey is OTZWCFKSPQBJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-18(19-9-3-2-4-10-19)26-23(15-7-8-16-23)17-25-22(27)14-13-20-11-5-6-12-21(20)24/h2-6,9-12,18,26H,7-8,13-17,24H2,1H3,(H,25,27).
What are the key properties of 3-(2-aminophenyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide?
3-(2-aminophenyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide has a molecular weight of 365.52 g/mol, XLogP of 3.98, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide is sourced from PubChem (CID 120613142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).