(2R,4R)-4-hydroxy-N-methyl-N-(2-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide

C18H22N2O2 — CID 124726613

IUPAC(2R,4R)-4-hydroxy-N-methyl-N-(2-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide
SMILESCN(CCc1cccc2ccccc12)C(=O)[C@H]1C[C@@H](O)CN1
InChIInChI=1S/C18H22N2O2/c1-20(18(22)17-11-15(21)12-19-17)10-9-14-7-4-6-13-5-2-3-8-16(13)14/h2-8,15,17,19,21H,9-12H2,1H3/t15-,17-/m1/s1
InChIKeyCDDYEFDSBDEFEM-NVXWUHKLSA-N
MW298.39 g/mol
LogP1.56
Rot. Bonds4

About (2R,4R)-4-hydroxy-N-methyl-N-(2-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide

(2R,4R)-4-hydroxy-N-methyl-N-(2-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 124726613) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-N-methyl-N-(2-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-N-methyl-N-(2-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide
PubChem CID124726613
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(2R,4R)-4-hydroxy-N-methyl-N-(2-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide
SMILESCN(CCc1cccc2ccccc12)C(=O)[C@H]1C[C@@H](O)CN1
InChIInChI=1S/C18H22N2O2/c1-20(18(22)17-11-15(21)12-19-17)10-9-14-7-4-6-13-5-2-3-8-16(13)14/h2-8,15,17,19,21H,9-12H2,1H3/t15-,17-/m1/s1
InChIKeyCDDYEFDSBDEFEM-NVXWUHKLSA-N
XLogP1.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-4-hydroxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
CID 124516580
N-[(2-chlorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 54869026
4-hydroxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide
CID 54943679
(2R,3S)-N,2-dimethyl-N-(2-naphthalen-1-ylethyl)morpholine-3-carboxamide
CID 120928944
(2R,4S)-4-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 125153912
4-hydroxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 60946282
4-hydroxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119695673
4-hydroxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 63207272
1-amino-N-methyl-N-(2-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
CID 115190049
(2R)-2-amino-N-methyl-N-(2-naphthalen-1-ylethyl)propanamide
CID 119309086
4-methoxy-N-methyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 61215235
(2R,4S)-N-[3-(4-chlorophenoxy)propyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 125138836

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-N-methyl-N-(2-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-4-hydroxy-N-methyl-N-(2-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide (CID 124726613) is (2R,4R)-4-hydroxy-N-methyl-N-(2-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-4-hydroxy-N-methyl-N-(2-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-4-hydroxy-N-methyl-N-(2-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide is CN(CCc1cccc2ccccc12)C(=O)[C@H]1C[C@@H](O)CN1.
What is the InChIKey of (2R,4R)-4-hydroxy-N-methyl-N-(2-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is CDDYEFDSBDEFEM-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-20(18(22)17-11-15(21)12-19-17)10-9-14-7-4-6-13-5-2-3-8-16(13)14/h2-8,15,17,19,21H,9-12H2,1H3/t15-,17-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-N-methyl-N-(2-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide?
(2R,4R)-4-hydroxy-N-methyl-N-(2-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-N-methyl-N-(2-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 124726613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).