N-benzhydryl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide

C21H26N2O2 — CID 111543768

IUPACN-benzhydryl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESCC(C(=O)NC(c1ccccc1)c1ccccc1)N1CCC(CO)C1
InChIInChI=1S/C21H26N2O2/c1-16(23-13-12-17(14-23)15-24)21(25)22-20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16-17,20,24H,12-15H2,1H3,(H,22,25)
InChIKeySFTATZYBLQDDFR-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.59
Rot. Bonds6

About N-benzhydryl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide

N-benzhydryl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide (PubChem CID 111543768) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-benzhydryl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-benzhydryl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
PubChem CID111543768
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-benzhydryl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESCC(C(=O)NC(c1ccccc1)c1ccccc1)N1CCC(CO)C1
InChIInChI=1S/C21H26N2O2/c1-16(23-13-12-17(14-23)15-24)21(25)22-20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16-17,20,24H,12-15H2,1H3,(H,22,25)
InChIKeySFTATZYBLQDDFR-UHFFFAOYSA-N
XLogP2.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylethyl)propanamide
CID 75810047
2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzhydrylpropanamide
CID 55841833
N-benzhydryl-2-(4-hydroxypiperidin-1-yl)propanamide
CID 51167538
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide
CID 62370861
N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543632
(2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide
CID 1439178
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 111543811
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
1-benzhydryl-3-[(1-benzhydrylpyrrolidin-3-yl)methyl]urea
CID 11294480
3-benzhydryl-1-[(1-benzhydrylpyrrolidin-3-yl)methyl]-1-methylurea
CID 58911298
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 111543644
N-[(4-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543820

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-benzhydryl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide (CID 111543768) is N-benzhydryl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-benzhydryl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-benzhydryl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide is CC(C(=O)NC(c1ccccc1)c1ccccc1)N1CCC(CO)C1.
What is the InChIKey of N-benzhydryl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is SFTATZYBLQDDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(23-13-12-17(14-23)15-24)21(25)22-20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16-17,20,24H,12-15H2,1H3,(H,22,25).
What are the key properties of N-benzhydryl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
N-benzhydryl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 338.45 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 111543768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).