N-ethyl-4-hydroxy-N-[1-(3-hydroxyphenyl)ethyl]pyrrolidine-2-carboxamide

C15H22N2O3 — CID 60953284

IUPACN-ethyl-4-hydroxy-N-[1-(3-hydroxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCCN(C(=O)C1CC(O)CN1)C(C)c1cccc(O)c1
InChIInChI=1S/C15H22N2O3/c1-3-17(15(20)14-8-13(19)9-16-14)10(2)11-5-4-6-12(18)7-11/h4-7,10,13-14,16,18-19H,3,8-9H2,1-2H3
InChIKeyGUIJFNGMINUAOQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.02
Rot. Bonds4

About N-ethyl-4-hydroxy-N-[1-(3-hydroxyphenyl)ethyl]pyrrolidine-2-carboxamide

N-ethyl-4-hydroxy-N-[1-(3-hydroxyphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 60953284) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-ethyl-4-hydroxy-N-[1-(3-hydroxyphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-hydroxy-N-[1-(3-hydroxyphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID60953284
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-ethyl-4-hydroxy-N-[1-(3-hydroxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCCN(C(=O)C1CC(O)CN1)C(C)c1cccc(O)c1
InChIInChI=1S/C15H22N2O3/c1-3-17(15(20)14-8-13(19)9-16-14)10(2)11-5-4-6-12(18)7-11/h4-7,10,13-14,16,18-19H,3,8-9H2,1-2H3
InChIKeyGUIJFNGMINUAOQ-UHFFFAOYSA-N
XLogP1.02
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423553
(2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 61164790
N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide
CID 112696419
4-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 54874282
3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 94797724
2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide
CID 60953617
4-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302133
2-[2-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 61327317
N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103800325
4-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 65359930
3-(3-acetylphenyl)-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 94798542
cis-(1S,2R)-2-[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131878

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-hydroxy-N-[1-(3-hydroxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-ethyl-4-hydroxy-N-[1-(3-hydroxyphenyl)ethyl]pyrrolidine-2-carboxamide (CID 60953284) is N-ethyl-4-hydroxy-N-[1-(3-hydroxyphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-hydroxy-N-[1-(3-hydroxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-ethyl-4-hydroxy-N-[1-(3-hydroxyphenyl)ethyl]pyrrolidine-2-carboxamide is CCN(C(=O)C1CC(O)CN1)C(C)c1cccc(O)c1.
What is the InChIKey of N-ethyl-4-hydroxy-N-[1-(3-hydroxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is GUIJFNGMINUAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-17(15(20)14-8-13(19)9-16-14)10(2)11-5-4-6-12(18)7-11/h4-7,10,13-14,16,18-19H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-4-hydroxy-N-[1-(3-hydroxyphenyl)ethyl]pyrrolidine-2-carboxamide?
N-ethyl-4-hydroxy-N-[1-(3-hydroxyphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-hydroxy-N-[1-(3-hydroxyphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60953284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).