1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide

C20H22N2O4 — CID 5309820

IUPAC1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide
SMILESCCCN1C(=O)c2cc(C(=O)NCc3ccc(OC)cc3)ccc2C1O
InChIInChI=1S/C20H22N2O4/c1-3-10-22-19(24)16-9-6-14(11-17(16)20(22)25)18(23)21-12-13-4-7-15(26-2)8-5-13/h4-9,11,19,24H,3,10,12H2,1-2H3,(H,21,23)
InChIKeyXBUSIDVZYYVIIO-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.48
Rot. Bonds6

About 1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide

1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide (PubChem CID 5309820) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide
PubChem CID5309820
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide
SMILESCCCN1C(=O)c2cc(C(=O)NCc3ccc(OC)cc3)ccc2C1O
InChIInChI=1S/C20H22N2O4/c1-3-10-22-19(24)16-9-6-14(11-17(16)20(22)25)18(23)21-12-13-4-7-15(26-2)8-5-13/h4-9,11,19,24H,3,10,12H2,1-2H3,(H,21,23)
InChIKeyXBUSIDVZYYVIIO-UHFFFAOYSA-N
XLogP2.48
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Ethyl)-4-(4'-Ethoxy-1,1'-Biphenyl-4-Yl)-4-Oxobutanoic Acid
CID 448384
2-(4-Methoxybenzyl)-1,3-dioxoisoindoline-5-carboxylic acid
CID 748433
4-(3-fluoro-5-hydroxyphenyl)-6-[(3R)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]oxy-2,3-dihydroisoindol-1-one
CID 164626051
3-methoxy-2-(4-methoxybenzyl)-2,3-dihydro-1H-isoindol-1-one
CID 3653878
2-[3-Hydroxy-1-(4-methoxyphenyl)propyl]-1-isoindolinone
CID 3775723
3-[3-[(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)oxymethyl]phenyl]-4-methylbenzoic acid
CID 53390519
[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[3-hydroxy-4-(hydroxymethyl)phenyl]methanone
CID 89528081
Isohericerin
CID 57330600
4-hydroxy-5-(2-hydroxyethyl)-6-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one
CID 156443517
6-Methoxy-2,3-dihydro-1H-isoindol-1-one
CID 14005623
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-1,3-dioxo-5-isoindolinecarboxamide
CID 887467
4-(1,3-dioxo-2-isoindolyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 1293729

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide?
The IUPAC name of 1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide (CID 5309820) is 1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide?
The canonical SMILES for 1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide is CCCN1C(=O)c2cc(C(=O)NCc3ccc(OC)cc3)ccc2C1O.
What is the InChIKey of 1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide?
The InChIKey is XBUSIDVZYYVIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-10-22-19(24)16-9-6-14(11-17(16)20(22)25)18(23)21-12-13-4-7-15(26-2)8-5-13/h4-9,11,19,24H,3,10,12H2,1-2H3,(H,21,23).
What are the key properties of 1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide?
1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxo-2-propyl-1H-isoindole-5-carboxamide is sourced from PubChem (CID 5309820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).