N-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide

C19H22N2O2 — CID 111123187

IUPACN-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CC[C@H](O)C1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O2/c22-18-11-12-20(14-18)15-19(23)21(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1-10,18,22H,11-15H2/t18-/m0/s1
InChIKeyJBHOXXCLXNVNOK-SFHVURJKSA-N
MW310.40 g/mol
LogP2.29
Rot. Bonds5

About N-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide

N-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide (PubChem CID 111123187) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide
PubChem CID111123187
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CC[C@H](O)C1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O2/c22-18-11-12-20(14-18)15-19(23)21(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1-10,18,22H,11-15H2/t18-/m0/s1
InChIKeyJBHOXXCLXNVNOK-SFHVURJKSA-N
XLogP2.29
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide 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

1-[2-(N-benzylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 24565100
N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963793
N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-phenylacetamide
CID 52659816
2-[1-[2-(N-benzyl-4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 112707407
N-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide
CID 109014601
4-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680479
N-benzyl-N-ethyl-2-(4-hydroxypiperidin-1-yl)acetamide
CID 60674374
N-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-2-phenylacetamide
CID 62916480
N-benzyl-2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 24596417
N-benzyl-2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-N-phenylacetamide
CID 51133968
N-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 57062888
N-benzyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 110754688

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide?
The IUPAC name of N-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide (CID 111123187) is N-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide is O=C(CN1CC[C@H](O)C1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide?
The InChIKey is JBHOXXCLXNVNOK-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-18-11-12-20(14-18)15-19(23)21(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1-10,18,22H,11-15H2/t18-/m0/s1.
What are the key properties of N-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide?
N-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide has a molecular weight of 310.40 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 111123187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).