N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide

C21H26N2O — CID 51947538

IUPACN-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H26N2O/c24-21(13-7-12-18-8-3-1-4-9-18)22-20-14-15-23(17-20)16-19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H,22,24)/t20-/m1/s1
InChIKeyUPKORVHKLVWYLR-HXUWFJFHSA-N
MW322.45 g/mol
LogP3.40
Rot. Bonds7

About N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide

N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide (PubChem CID 51947538) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
PubChem CID51947538
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H26N2O/c24-21(13-7-12-18-8-3-1-4-9-18)22-20-14-15-23(17-20)16-19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H,22,24)/t20-/m1/s1
InChIKeyUPKORVHKLVWYLR-HXUWFJFHSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
N-(1-ethylpiperidin-4-yl)-4-phenylbutanamide
CID 17250229
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide
CID 62833579
N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 2971184
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
N-(1-benzylpyrrolidin-3-yl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]propanamide
CID 72937332
N-(1-benzylpyrrolidin-3-yl)-3-(5-phenylfuran-2-yl)propanamide
CID 18156265
[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid
CID 154457780
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
N-[4-[(1-benzylpyrrolidin-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 18156372

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide?
The IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide (CID 51947538) is N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide is O=C(CCCc1ccccc1)N[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide?
The InChIKey is UPKORVHKLVWYLR-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N2O/c24-21(13-7-12-18-8-3-1-4-9-18)22-20-14-15-23(17-20)16-19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H,22,24)/t20-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide?
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide has a molecular weight of 322.45 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 51947538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).