N-[(3S,4R)-4-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide

C21H26N2O2 — CID 110202536

IUPACN-[(3S,4R)-4-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CN(CCCc2ccccc2)C[C@H]1CO)c1ccccc1
InChIInChI=1S/C21H26N2O2/c24-16-19-14-23(13-7-10-17-8-3-1-4-9-17)15-20(19)22-21(25)18-11-5-2-6-12-18/h1-6,8-9,11-12,19-20,24H,7,10,13-16H2,(H,22,25)/t19-,20+/m0/s1
InChIKeyYRGFYDKELBLBRF-VQTJNVASSA-N
MW338.45 g/mol
LogP2.34
Rot. Bonds7

About N-[(3S,4R)-4-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide

N-[(3S,4R)-4-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide (PubChem CID 110202536) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(3S,4R)-4-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
PubChem CID110202536
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[(3S,4R)-4-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CN(CCCc2ccccc2)C[C@H]1CO)c1ccccc1
InChIInChI=1S/C21H26N2O2/c24-16-19-14-23(13-7-10-17-8-3-1-4-9-17)15-20(19)22-21(25)18-11-5-2-6-12-18/h1-6,8-9,11-12,19-20,24H,7,10,13-16H2,(H,22,25)/t19-,20+/m0/s1
InChIKeyYRGFYDKELBLBRF-VQTJNVASSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3S,4R)-4-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide 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-[(2,6-difluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]benzamide
CID 171142642
N-[(3S,4R)-4-(hydroxymethyl)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]benzamide
CID 110202549
N-[1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]benzamide
CID 171142638
N-[4-(hydroxymethyl)-1-(4-phenylbutanoyl)pyrrolidin-3-yl]acetamide
CID 171142649
N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 110202444
N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1H-indole-5-carboxamide
CID 110202451
N-[(3S,4S)-1-benzyl-4-chloropyrrolidin-3-yl]benzamide
CID 101077011
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
N-[1-benzyl-3-(hydroxymethyl)piperidin-4-yl]-3-pyrrol-1-ylbenzamide
CID 75393508
N-[(3S,4S)-1-(furan-2-ylmethyl)-4-(hydroxymethyl)piperidin-3-yl]benzamide
CID 91915719
4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide
CID 34799426
N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-chlorofuran-2-carboxamide
CID 97248022

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of N-[(3S,4R)-4-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide (CID 110202536) is N-[(3S,4R)-4-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-[(3S,4R)-4-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-[(3S,4R)-4-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide is O=C(N[C@@H]1CN(CCCc2ccccc2)C[C@H]1CO)c1ccccc1.
What is the InChIKey of N-[(3S,4R)-4-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide?
The InChIKey is YRGFYDKELBLBRF-VQTJNVASSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-16-19-14-23(13-7-10-17-8-3-1-4-9-17)15-20(19)22-21(25)18-11-5-2-6-12-18/h1-6,8-9,11-12,19-20,24H,7,10,13-16H2,(H,22,25)/t19-,20+/m0/s1.
What are the key properties of N-[(3S,4R)-4-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide?
N-[(3S,4R)-4-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 2.34, 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-(hydroxymethyl)-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 110202536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).