2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-2-phenylacetamide;hydrochloride

C21H26ClN3O2 — CID 119303626

IUPAC2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-2-phenylacetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C21H25N3O2.ClH/c22-20(17-6-2-1-3-7-17)21(26)23-18-11-8-16(9-12-18)10-13-19(25)24-14-4-5-15-24;/h1-3,6-9,11-12,20H,4-5,10,13-15,22H2,(H,23,26);1H
InChIKeyWPICJVDKPLJCOS-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.30
Rot. Bonds6

About 2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-2-phenylacetamide;hydrochloride

2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-2-phenylacetamide;hydrochloride (PubChem CID 119303626) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-2-phenylacetamide;hydrochloride
PubChem CID119303626
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-2-phenylacetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C21H25N3O2.ClH/c22-20(17-6-2-1-3-7-17)21(26)23-18-11-8-16(9-12-18)10-13-19(25)24-14-4-5-15-24;/h1-3,6-9,11-12,20H,4-5,10,13-15,22H2,(H,23,26);1H
InChIKeyWPICJVDKPLJCOS-UHFFFAOYSA-N
XLogP3.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119303616
(2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide;hydrochloride
CID 119303606
(2S)-2-amino-4-methyl-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide;hydrochloride
CID 119749397
(2S)-2-amino-N-[4-(2-aminoethyl)phenyl]-2-phenylacetamide
CID 67245807
2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-phenylacetamide
CID 119871125
2-amino-N-[4-(cyclopentyloxymethyl)phenyl]-2-phenylacetamide;hydrochloride
CID 119330112
3-(4-fluorophenyl)-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide
CID 110633755
cis-(1R,3S)-2,2-dimethyl-3-[[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122099603
2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide
CID 119844839
2,2-diphenyl-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575227
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide
CID 110314338
4-[3-(4-fluorophenyl)propanoyl]-N-phenyl-1,4-diazepane-1-carboxamide
CID 110811792

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-2-phenylacetamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-2-phenylacetamide;hydrochloride (CID 119303626) is 2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-2-phenylacetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-2-phenylacetamide;hydrochloride is Cl.NC(C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccccc1.
What is the InChIKey of 2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-2-phenylacetamide;hydrochloride?
The InChIKey is WPICJVDKPLJCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c22-20(17-6-2-1-3-7-17)21(26)23-18-11-8-16(9-12-18)10-13-19(25)24-14-4-5-15-24;/h1-3,6-9,11-12,20H,4-5,10,13-15,22H2,(H,23,26);1H.
What are the key properties of 2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-2-phenylacetamide;hydrochloride?
2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-2-phenylacetamide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 119303626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).