N-(2-hydroxy-4-methoxyphenyl)-2-propylpyrrolidine-2-carboxamide

C15H22N2O3 — CID 106975900

IUPACN-(2-hydroxy-4-methoxyphenyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2ccc(OC)cc2O)CCCN1
InChIInChI=1S/C15H22N2O3/c1-3-7-15(8-4-9-16-15)14(19)17-12-6-5-11(20-2)10-13(12)18/h5-6,10,16,18H,3-4,7-9H2,1-2H3,(H,17,19)
InChIKeyLGSDRRVPOGJMBP-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.26
Rot. Bonds5

About N-(2-hydroxy-4-methoxyphenyl)-2-propylpyrrolidine-2-carboxamide

N-(2-hydroxy-4-methoxyphenyl)-2-propylpyrrolidine-2-carboxamide (PubChem CID 106975900) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(2-hydroxy-4-methoxyphenyl)-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methoxyphenyl)-2-propylpyrrolidine-2-carboxamide
PubChem CID106975900
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(2-hydroxy-4-methoxyphenyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2ccc(OC)cc2O)CCCN1
InChIInChI=1S/C15H22N2O3/c1-3-7-15(8-4-9-16-15)14(19)17-12-6-5-11(20-2)10-13(12)18/h5-6,10,16,18H,3-4,7-9H2,1-2H3,(H,17,19)
InChIKeyLGSDRRVPOGJMBP-UHFFFAOYSA-N
XLogP2.26
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974155
N-(2,3-dichlorophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974147
N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973997
methyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate
CID 106974927
2-propyl-N-(2,4,6-trichlorophenyl)pyrrolidine-2-carboxamide
CID 106974176
N-(4-ethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974084
N-(2-bromo-4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974444
N-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974526
N-[3-(difluoromethoxy)phenyl]-2-propylpyrrolidine-2-carboxamide
CID 106974400
N-(2-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974417
N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974031
N-(3-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973980

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methoxyphenyl)-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methoxyphenyl)-2-propylpyrrolidine-2-carboxamide (CID 106975900) is N-(2-hydroxy-4-methoxyphenyl)-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methoxyphenyl)-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methoxyphenyl)-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)Nc2ccc(OC)cc2O)CCCN1.
What is the InChIKey of N-(2-hydroxy-4-methoxyphenyl)-2-propylpyrrolidine-2-carboxamide?
The InChIKey is LGSDRRVPOGJMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-7-15(8-4-9-16-15)14(19)17-12-6-5-11(20-2)10-13(12)18/h5-6,10,16,18H,3-4,7-9H2,1-2H3,(H,17,19).
What are the key properties of N-(2-hydroxy-4-methoxyphenyl)-2-propylpyrrolidine-2-carboxamide?
N-(2-hydroxy-4-methoxyphenyl)-2-propylpyrrolidine-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methoxyphenyl)-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106975900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).