(3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide

C14H20N2O2 — CID 111430995

IUPAC(3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C14H20N2O2/c1-10(2)11-3-5-12(6-4-11)15-14(18)16-8-7-13(17)9-16/h3-6,10,13,17H,7-9H2,1-2H3,(H,15,18)/t13-/m1/s1
InChIKeyHGMAOLNPGCHNGN-CYBMUJFWSA-N
MW248.33 g/mol
LogP2.41
Rot. Bonds2

About (3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide

(3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide (PubChem CID 111430995) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide
PubChem CID111430995
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C14H20N2O2/c1-10(2)11-3-5-12(6-4-11)15-14(18)16-8-7-13(17)9-16/h3-6,10,13,17H,7-9H2,1-2H3,(H,15,18)/t13-/m1/s1
InChIKeyHGMAOLNPGCHNGN-CYBMUJFWSA-N
XLogP2.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 61438878
3-hydroxy-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide
CID 102964223
(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid
CID 62941390
(3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165774
N-[4-(1-aminoethyl)phenyl]-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 114681075
(3R)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165775
2-(4-hydroxypiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39902284
3-methyl-4-(4-methylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 4993779
N-(4-methylphenyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111349
(3S)-3-hydroxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]pyrrolidine-1-carboxamide
CID 124567707
(3S)-3-hydroxy-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 142556164

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide (CID 111430995) is (3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide is CC(C)c1ccc(NC(=O)N2CC[C@@H](O)C2)cc1.
What is the InChIKey of (3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is HGMAOLNPGCHNGN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)11-3-5-12(6-4-11)15-14(18)16-8-7-13(17)9-16/h3-6,10,13,17H,7-9H2,1-2H3,(H,15,18)/t13-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide?
(3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111430995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).