2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide

C18H27N3O2 — CID 111427676

IUPAC2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)N1CCCC1CO
InChIInChI=1S/C18H27N3O2/c22-14-16-9-6-12-21(16)18(23)19-13-17(20-10-4-5-11-20)15-7-2-1-3-8-15/h1-3,7-8,16-17,22H,4-6,9-14H2,(H,19,23)
InChIKeyLBLNMWXUZVIDEE-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.99
Rot. Bonds5

About 2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide

2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide (PubChem CID 111427676) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
PubChem CID111427676
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)N1CCCC1CO
InChIInChI=1S/C18H27N3O2/c22-14-16-9-6-12-21(16)18(23)19-13-17(20-10-4-5-11-20)15-7-2-1-3-8-15/h1-3,7-8,16-17,22H,4-6,9-14H2,(H,19,23)
InChIKeyLBLNMWXUZVIDEE-UHFFFAOYSA-N
XLogP1.99
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboxamide
CID 111428047
2-(hydroxymethyl)-N-(3-methyl-2-phenylbutyl)pyrrolidine-1-carboxamide
CID 111427979
2-(hydroxymethyl)-N-(2-methoxy-2-phenylethyl)pyrrolidine-1-carboxamide
CID 111427848
(2S)-2-(hydroxymethyl)-N-(2-phenylsulfanylpropyl)pyrrolidine-1-carboxamide
CID 111508836
(2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide
CID 14641518
N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427938
3-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid
CID 62878683
1-cyclobutyl-1-methyl-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 95907758
N-(2,2-dimethyl-3-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428373
(2R)-N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 96999494
N-[2-(dimethylamino)-2-phenylethyl]-2-ethylpiperidine-1-carboxamide
CID 86999382
(2R)-2-(hydroxymethyl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
CID 95967500

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide (CID 111427676) is 2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide is O=C(NCC(c1ccccc1)N1CCCC1)N1CCCC1CO.
What is the InChIKey of 2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide?
The InChIKey is LBLNMWXUZVIDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-14-16-9-6-12-21(16)18(23)19-13-17(20-10-4-5-11-20)15-7-2-1-3-8-15/h1-3,7-8,16-17,22H,4-6,9-14H2,(H,19,23).
What are the key properties of 2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide?
2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111427676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).