1-(2-aminopropanoyl)-N-benzhydrylpyrrolidine-2-carboxamide

C21H25N3O2 — CID 166861237

IUPAC1-(2-aminopropanoyl)-N-benzhydrylpyrrolidine-2-carboxamide
SMILESCC(N)C(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-15(22)21(26)24-14-8-13-18(24)20(25)23-19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,15,18-19H,8,13-14,22H2,1H3,(H,23,25)
InChIKeyOBGRODLHGLNIFC-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.23
Rot. Bonds5

About 1-(2-aminopropanoyl)-N-benzhydrylpyrrolidine-2-carboxamide

1-(2-aminopropanoyl)-N-benzhydrylpyrrolidine-2-carboxamide (PubChem CID 166861237) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(2-aminopropanoyl)-N-benzhydrylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-aminopropanoyl)-N-benzhydrylpyrrolidine-2-carboxamide
PubChem CID166861237
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-(2-aminopropanoyl)-N-benzhydrylpyrrolidine-2-carboxamide
SMILESCC(N)C(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-15(22)21(26)24-14-8-13-18(24)20(25)23-19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,15,18-19H,8,13-14,22H2,1H3,(H,23,25)
InChIKeyOBGRODLHGLNIFC-UHFFFAOYSA-N
XLogP2.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-benzhydrylpyrrolidine-2-carboxamide;formic acid
CID 25241677
(2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 22809937
N-benzhydryl-1-[2-[2-(chloroamino)propanoylamino]-2-phenylacetyl]pyrrolidine-2-carboxamide
CID 89078519
(2S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
CID 11902969
1-acetyl-N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-2-carboxamide
CID 78798467
(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-cyclohexylacetyl]-N-benzhydrylazetidine-2-carboxamide;hydrochloride
CID 11364273
(2S)-N-benzhydryl-1-[(2S)-3-hydroxy-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]pyrrolidine-2-carboxamide
CID 122192538
1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide
CID 60953274
(2S)-1-[(2R)-2-[[(2S)-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 71419442
[2-oxo-2-[2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]ethyl]carbamic acid
CID 175570339
2-[[2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]acetic acid
CID 18238397
methyl N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]ethyl]carbamate
CID 59616659

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropanoyl)-N-benzhydrylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-aminopropanoyl)-N-benzhydrylpyrrolidine-2-carboxamide (CID 166861237) is 1-(2-aminopropanoyl)-N-benzhydrylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-aminopropanoyl)-N-benzhydrylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-aminopropanoyl)-N-benzhydrylpyrrolidine-2-carboxamide is CC(N)C(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-aminopropanoyl)-N-benzhydrylpyrrolidine-2-carboxamide?
The InChIKey is OBGRODLHGLNIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15(22)21(26)24-14-8-13-18(24)20(25)23-19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,15,18-19H,8,13-14,22H2,1H3,(H,23,25).
What are the key properties of 1-(2-aminopropanoyl)-N-benzhydrylpyrrolidine-2-carboxamide?
1-(2-aminopropanoyl)-N-benzhydrylpyrrolidine-2-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropanoyl)-N-benzhydrylpyrrolidine-2-carboxamide is sourced from PubChem (CID 166861237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).