3-(hydroxymethyl)-N,N-diphenylpyrrolidine-1-carboxamide

C18H20N2O2 — CID 91660515

IUPAC3-(hydroxymethyl)-N,N-diphenylpyrrolidine-1-carboxamide
SMILESO=C(N1CCC(CO)C1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c21-14-15-11-12-19(13-15)18(22)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,21H,11-14H2
InChIKeySTASVSQXOALENN-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.26
Rot. Bonds3

About 3-(hydroxymethyl)-N,N-diphenylpyrrolidine-1-carboxamide

3-(hydroxymethyl)-N,N-diphenylpyrrolidine-1-carboxamide (PubChem CID 91660515) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N,N-diphenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N,N-diphenylpyrrolidine-1-carboxamide
PubChem CID91660515
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-(hydroxymethyl)-N,N-diphenylpyrrolidine-1-carboxamide
SMILESO=C(N1CCC(CO)C1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c21-14-15-11-12-19(13-15)18(22)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,21H,11-14H2
InChIKeySTASVSQXOALENN-UHFFFAOYSA-N
XLogP3.26
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hydroxymethyl)-N,N-diphenylmorpholine-4-carboxamide
CID 75476548
4-methyl-N,N-diphenylpiperidine-1-carboxamide
CID 71122865
(2S)-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid
CID 54011056
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 78989359
N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 111798569
N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 62370951
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-2-phenylpentan-1-one
CID 62372521
(2-bromophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62348185
2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone
CID 129394491
2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-methylamino]propanoic acid
CID 112626729
(2S)-2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 104984754
3-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-phenylpropanoic acid
CID 115965790

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N,N-diphenylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N,N-diphenylpyrrolidine-1-carboxamide (CID 91660515) is 3-(hydroxymethyl)-N,N-diphenylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N,N-diphenylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N,N-diphenylpyrrolidine-1-carboxamide is O=C(N1CCC(CO)C1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(hydroxymethyl)-N,N-diphenylpyrrolidine-1-carboxamide?
The InChIKey is STASVSQXOALENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-14-15-11-12-19(13-15)18(22)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,21H,11-14H2.
What are the key properties of 3-(hydroxymethyl)-N,N-diphenylpyrrolidine-1-carboxamide?
3-(hydroxymethyl)-N,N-diphenylpyrrolidine-1-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N,N-diphenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 91660515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).