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

C14H20N2O2 — CID 91801800

IUPACN-(2-hydroxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide
SMILESCC(C)c1cccc(NC(=O)N2CCCC2)c1O
InChIInChI=1S/C14H20N2O2/c1-10(2)11-6-5-7-12(13(11)17)15-14(18)16-8-3-4-9-16/h5-7,10,17H,3-4,8-9H2,1-2H3,(H,15,18)
InChIKeyKGXWNNDPSBNCAL-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.14
Rot. Bonds2

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

N-(2-hydroxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide (PubChem CID 91801800) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-hydroxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide
PubChem CID91801800
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(2-hydroxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide
SMILESCC(C)c1cccc(NC(=O)N2CCCC2)c1O
InChIInChI=1S/C14H20N2O2/c1-10(2)11-6-5-7-12(13(11)17)15-14(18)16-8-3-4-9-16/h5-7,10,17H,3-4,8-9H2,1-2H3,(H,15,18)
InChIKeyKGXWNNDPSBNCAL-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxy-2-methylphenyl)piperidine-1-carboxamide
CID 79155888
N-(2-propan-2-ylphenyl)morpholine-4-carboxamide
CID 3684146
1-(2-hydroxy-3-propan-2-ylphenyl)-3-methylurea
CID 20981812
4-methyl-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 108987988
N-[2-[1-(ethylamino)ethyl]phenyl]azepane-1-carboxamide
CID 79157491
3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 84529064
N-(2-propan-2-ylphenyl)-2,5-dihydropyrrole-1-carboxamide
CID 3784138
N-[2,6-di(propan-2-yl)phenyl]-4-methylpiperazine-1-carboxamide
CID 108988458
4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112333
4-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113105696
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942028

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-hydroxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide (CID 91801800) is N-(2-hydroxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide is CC(C)c1cccc(NC(=O)N2CCCC2)c1O.
What is the InChIKey of N-(2-hydroxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is KGXWNNDPSBNCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)11-6-5-7-12(13(11)17)15-14(18)16-8-3-4-9-16/h5-7,10,17H,3-4,8-9H2,1-2H3,(H,15,18).
What are the key properties of N-(2-hydroxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide?
N-(2-hydroxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 91801800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).