1-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide

C14H18N2O4 — CID 3159237

IUPAC1-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(O)CNC(=O)C1CC(=O)N(c2ccc(O)cc2)C1
InChIInChI=1S/C14H18N2O4/c1-9(17)7-15-14(20)10-6-13(19)16(8-10)11-2-4-12(18)5-3-11/h2-5,9-10,17-18H,6-8H2,1H3,(H,15,20)
InChIKeyAVNRVVXERRDXDK-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.24
Rot. Bonds4

About 1-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide

1-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3159237) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3159237
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(O)CNC(=O)C1CC(=O)N(c2ccc(O)cc2)C1
InChIInChI=1S/C14H18N2O4/c1-9(17)7-15-14(20)10-6-13(19)16(8-10)11-2-4-12(18)5-3-11/h2-5,9-10,17-18H,6-8H2,1H3,(H,15,20)
InChIKeyAVNRVVXERRDXDK-UHFFFAOYSA-N
XLogP0.24
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxyphenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 2955573
(3R)-N-[(2R)-2-hydroxypropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7034624
2-[[1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 82043433
(3S)-1-(4-chlorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 774264
N-(3-amino-2-methylpropyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119996455
(3S)-1-(4-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7248206
1-(4-hydroxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 74240649
N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120653192
N-(2-hydroxy-2-thiophen-3-ylethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 111441332
1-cyclopropyl-N-[(2R)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide
CID 83032066
(3R)-5-oxo-1-(4-propan-2-ylphenyl)-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 93018331
1-(4-bromophenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3373774

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide (CID 3159237) is 1-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide is CC(O)CNC(=O)C1CC(=O)N(c2ccc(O)cc2)C1.
What is the InChIKey of 1-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AVNRVVXERRDXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9(17)7-15-14(20)10-6-13(19)16(8-10)11-2-4-12(18)5-3-11/h2-5,9-10,17-18H,6-8H2,1H3,(H,15,20).
What are the key properties of 1-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3159237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).