N-[(3S,4R)-4-cyclopropyl-1-(2-phenylethyl)pyrrolidin-3-yl]-3-hydroxypropanamide

C18H26N2O2 — CID 133138745

IUPACN-[(3S,4R)-4-cyclopropyl-1-(2-phenylethyl)pyrrolidin-3-yl]-3-hydroxypropanamide
SMILESO=C(CCO)N[C@@H]1CN(CCc2ccccc2)C[C@H]1C1CC1
InChIInChI=1S/C18H26N2O2/c21-11-9-18(22)19-17-13-20(12-16(17)15-6-7-15)10-8-14-4-2-1-3-5-14/h1-5,15-17,21H,6-13H2,(H,19,22)/t16-,17+/m0/s1
InChIKeyDEYYUAKKWNCZIL-DLBZAZTESA-N
MW302.42 g/mol
LogP1.44
Rot. Bonds7

About N-[(3S,4R)-4-cyclopropyl-1-(2-phenylethyl)pyrrolidin-3-yl]-3-hydroxypropanamide

N-[(3S,4R)-4-cyclopropyl-1-(2-phenylethyl)pyrrolidin-3-yl]-3-hydroxypropanamide (PubChem CID 133138745) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[(3S,4R)-4-cyclopropyl-1-(2-phenylethyl)pyrrolidin-3-yl]-3-hydroxypropanamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-cyclopropyl-1-(2-phenylethyl)pyrrolidin-3-yl]-3-hydroxypropanamide
PubChem CID133138745
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[(3S,4R)-4-cyclopropyl-1-(2-phenylethyl)pyrrolidin-3-yl]-3-hydroxypropanamide
SMILESO=C(CCO)N[C@@H]1CN(CCc2ccccc2)C[C@H]1C1CC1
InChIInChI=1S/C18H26N2O2/c21-11-9-18(22)19-17-13-20(12-16(17)15-6-7-15)10-8-14-4-2-1-3-5-14/h1-5,15-17,21H,6-13H2,(H,19,22)/t16-,17+/m0/s1
InChIKeyDEYYUAKKWNCZIL-DLBZAZTESA-N
XLogP1.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3S,4R)-4-cyclopropyl-1-(2-phenylethyl)pyrrolidin-3-yl]-3-hydroxypropanamide 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-benzyl-4-cyclopropylpyrrolidin-3-yl)carbamic acid
CID 90406485
N-[(3R,4S)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-4-phenylbutanamide
CID 72901003
tert-butyl N-[(3R,4R)-1-benzyl-4-cyclopropylpyrrolidin-3-yl]carbamate
CID 102069021
2-[(3S,4R)-3-cyclopropyl-4-[(2-phenylmethoxyacetyl)amino]pyrrolidin-1-yl]acetamide
CID 72904594
N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 167098946
N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-3-(2-methylphenyl)propanamide
CID 133113007
N-[(3S,4R)-4-cyclopropyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-3-methylsulfanylpropanamide
CID 133130563
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45227413
3-[(3aS,4R,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 100909477
[(1S,2S,6S,7R)-4-(2-phenylethyl)-4-azatricyclo[5.2.1.02,6]decan-10-yl] benzoate
CID 6975073

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-(2-phenylethyl)pyrrolidin-3-yl]-3-hydroxypropanamide?
The IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-(2-phenylethyl)pyrrolidin-3-yl]-3-hydroxypropanamide (CID 133138745) is N-[(3S,4R)-4-cyclopropyl-1-(2-phenylethyl)pyrrolidin-3-yl]-3-hydroxypropanamide.
What is the SMILES notation for N-[(3S,4R)-4-cyclopropyl-1-(2-phenylethyl)pyrrolidin-3-yl]-3-hydroxypropanamide?
The canonical SMILES for N-[(3S,4R)-4-cyclopropyl-1-(2-phenylethyl)pyrrolidin-3-yl]-3-hydroxypropanamide is O=C(CCO)N[C@@H]1CN(CCc2ccccc2)C[C@H]1C1CC1.
What is the InChIKey of N-[(3S,4R)-4-cyclopropyl-1-(2-phenylethyl)pyrrolidin-3-yl]-3-hydroxypropanamide?
The InChIKey is DEYYUAKKWNCZIL-DLBZAZTESA-N. The full InChI is InChI=1S/C18H26N2O2/c21-11-9-18(22)19-17-13-20(12-16(17)15-6-7-15)10-8-14-4-2-1-3-5-14/h1-5,15-17,21H,6-13H2,(H,19,22)/t16-,17+/m0/s1.
What are the key properties of N-[(3S,4R)-4-cyclopropyl-1-(2-phenylethyl)pyrrolidin-3-yl]-3-hydroxypropanamide?
N-[(3S,4R)-4-cyclopropyl-1-(2-phenylethyl)pyrrolidin-3-yl]-3-hydroxypropanamide has a molecular weight of 302.42 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-cyclopropyl-1-(2-phenylethyl)pyrrolidin-3-yl]-3-hydroxypropanamide is sourced from PubChem (CID 133138745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).