3-amino-2-methyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-3-phenylpropanamide;hydrochloride

C23H30ClN3O2 — CID 119762004

IUPAC3-amino-2-methyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1)C(N)c1ccccc1.Cl
InChIInChI=1S/C23H29N3O2.ClH/c1-17(21(24)19-12-6-3-7-13-19)22(27)25-20(16-18-10-4-2-5-11-18)23(28)26-14-8-9-15-26;/h2-7,10-13,17,20-21H,8-9,14-16,24H2,1H3,(H,25,27);1H
InChIKeyRUQWLUPYPIOULR-UHFFFAOYSA-N
MW415.97 g/mol
LogP3.09
Rot. Bonds7

About 3-amino-2-methyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-3-phenylpropanamide;hydrochloride

3-amino-2-methyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-3-phenylpropanamide;hydrochloride (PubChem CID 119762004) has the molecular formula C23H30ClN3O2 and a molecular weight of 415.97 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-3-phenylpropanamide;hydrochloride
PubChem CID119762004
Molecular FormulaC23H30ClN3O2
Molecular Weight415.97 g/mol
Exact Mass415.20
IUPAC Name3-amino-2-methyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1)C(N)c1ccccc1.Cl
InChIInChI=1S/C23H29N3O2.ClH/c1-17(21(24)19-12-6-3-7-13-19)22(27)25-20(16-18-10-4-2-5-11-18)23(28)26-14-8-9-15-26;/h2-7,10-13,17,20-21H,8-9,14-16,24H2,1H3,(H,25,27);1H
InChIKeyRUQWLUPYPIOULR-UHFFFAOYSA-N
XLogP3.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.97
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]carbamate
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N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
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N-[(2S)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,2-diphenylacetamide
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3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
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(3R)-3-amino-N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-phenylpropanamide
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N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-3-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-3-phenylpropanamide;hydrochloride (CID 119762004) is 3-amino-2-methyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-3-phenylpropanamide;hydrochloride is CC(C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-2-methyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-3-phenylpropanamide;hydrochloride?
The InChIKey is RUQWLUPYPIOULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2.ClH/c1-17(21(24)19-12-6-3-7-13-19)22(27)25-20(16-18-10-4-2-5-11-18)23(28)26-14-8-9-15-26;/h2-7,10-13,17,20-21H,8-9,14-16,24H2,1H3,(H,25,27);1H.
What are the key properties of 3-amino-2-methyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-3-phenylpropanamide;hydrochloride?
3-amino-2-methyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-3-phenylpropanamide;hydrochloride has a molecular weight of 415.97 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119762004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).