2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride

C23H33Cl2N3O — CID 119884525

IUPAC2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride
SMILESCC(NC1(CNC(=O)C(N)Cc2ccccc2)CCCC1)c1ccccc1.Cl.Cl
InChIInChI=1S/C23H31N3O.2ClH/c1-18(20-12-6-3-7-13-20)26-23(14-8-9-15-23)17-25-22(27)21(24)16-19-10-4-2-5-11-19;;/h2-7,10-13,18,21,26H,8-9,14-17,24H2,1H3,(H,25,27);2*1H
InChIKeyQAGBTDAOTIUXBV-UHFFFAOYSA-N
MW438.44 g/mol
LogP4.18
Rot. Bonds8

About 2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride

2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride (PubChem CID 119884525) has the molecular formula C23H33Cl2N3O and a molecular weight of 438.44 g/mol. Its IUPAC name is 2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride
PubChem CID119884525
Molecular FormulaC23H33Cl2N3O
Molecular Weight438.44 g/mol
Exact Mass437.20
IUPAC Name2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride
SMILESCC(NC1(CNC(=O)C(N)Cc2ccccc2)CCCC1)c1ccccc1.Cl.Cl
InChIInChI=1S/C23H31N3O.2ClH/c1-18(20-12-6-3-7-13-20)26-23(14-8-9-15-23)17-25-22(27)21(24)16-19-10-4-2-5-11-19;;/h2-7,10-13,18,21,26H,8-9,14-17,24H2,1H3,(H,25,27);2*1H
InChIKeyQAGBTDAOTIUXBV-UHFFFAOYSA-N
XLogP4.18
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-phenylpropanamide
CID 81494200
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(2S)-2-amino-N-[(1-hydroxycyclohexyl)methyl]-3-phenylpropanamide
CID 79004655
(2S)-2-amino-N-[(1-methylcyclobutyl)methyl]-3-phenylpropanamide
CID 103797671
(2R)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
CID 81433594
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
CID 81433068
2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide
CID 62553374
1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea
CID 111438810
2-[1-[[(2-amino-3-phenylpropanoyl)amino]methyl]cyclohexyl]acetic acid
CID 11507997
2-[1-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]cyclobutyl]acetic acid
CID 81164897
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide
CID 119884570

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride?
The IUPAC name of 2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride (CID 119884525) is 2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride?
The canonical SMILES for 2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride is CC(NC1(CNC(=O)C(N)Cc2ccccc2)CCCC1)c1ccccc1.Cl.Cl.
What is the InChIKey of 2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride?
The InChIKey is QAGBTDAOTIUXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O.2ClH/c1-18(20-12-6-3-7-13-20)26-23(14-8-9-15-23)17-25-22(27)21(24)16-19-10-4-2-5-11-19;;/h2-7,10-13,18,21,26H,8-9,14-17,24H2,1H3,(H,25,27);2*1H.
What are the key properties of 2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride?
2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride has a molecular weight of 438.44 g/mol, XLogP of 4.18, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]propanamide;dihydrochloride is sourced from PubChem (CID 119884525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).