N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

C14H20N2O2 — CID 106980755

IUPACN-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)Nc2ccccc2O)CCNC1
InChIInChI=1S/C14H20N2O2/c1-10(2)14(7-8-15-9-14)13(18)16-11-5-3-4-6-12(11)17/h3-6,10,15,17H,7-9H2,1-2H3,(H,16,18)
InChIKeyXBXOHCGZMYTAQL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.97
Rot. Bonds3

About N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106980755) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106980755
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)Nc2ccccc2O)CCNC1
InChIInChI=1S/C14H20N2O2/c1-10(2)14(7-8-15-9-14)13(18)16-11-5-3-4-6-12(11)17/h3-6,10,15,17H,7-9H2,1-2H3,(H,16,18)
InChIKeyXBXOHCGZMYTAQL-UHFFFAOYSA-N
XLogP1.97
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-propan-2-yl-N-(2-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 106980254
N-[2-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979918
N-(2-ethylsulfanylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980005
N-(2-hydroxy-5-nitrophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107744568
N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979608
N-(1-phenylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979455
N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979554
N-(2-chloro-5-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107528499
N-(2-chloro-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979641
4-methyl-3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 106979941
4-bromo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 106980315
N-(1H-benzimidazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980681

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106980755) is N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)Nc2ccccc2O)CCNC1.
What is the InChIKey of N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is XBXOHCGZMYTAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)14(7-8-15-9-14)13(18)16-11-5-3-4-6-12(11)17/h3-6,10,15,17H,7-9H2,1-2H3,(H,16,18).
What are the key properties of N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106980755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).