N-[4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylphenyl]formamide

C19H20N2O3 — CID 156596198

IUPACN-[4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylphenyl]formamide
SMILESCC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1NC=O
InChIInChI=1S/C19H20N2O3/c1-12(2)15-7-16(18(23)8-17(15)20-11-22)19(24)21-9-13-5-3-4-6-14(13)10-21/h3-8,11-12,23H,9-10H2,1-2H3,(H,20,22)
InChIKeyTVSQFCLLEPUJHZ-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.24
Rot. Bonds4

About N-[4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylphenyl]formamide

N-[4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylphenyl]formamide (PubChem CID 156596198) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylphenyl]formamide.

Molecular Properties

Compound NameN-[4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylphenyl]formamide
PubChem CID156596198
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylphenyl]formamide
SMILESCC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1NC=O
InChIInChI=1S/C19H20N2O3/c1-12(2)15-7-16(18(23)8-17(15)20-11-22)19(24)21-9-13-5-3-4-6-14(13)10-21/h3-8,11-12,23H,9-10H2,1-2H3,(H,20,22)
InChIKeyTVSQFCLLEPUJHZ-UHFFFAOYSA-N
XLogP3.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-dihydroisoindol-2-yl-[2-hydroxy-4-(methoxymethyl)-5-propan-2-ylphenyl]methanone
CID 135223403
(2,4-dihydroxy-5-propan-2-ylphenyl)-(5-methyl-1,3-dihydroisoindol-2-yl)methanone;ethane
CID 176552228
1,3-dihydroisoindol-2-yl-(2,4-dihydroxyphenyl)methanone
CID 11955507
(5-tert-butyl-1,3-dihydroisoindol-2-yl)-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
CID 176552490
[4-(cyclohexylamino)-1,3-dihydroisoindol-2-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
CID 58245989
(4-chloro-2-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 15942376
[4-(bromomethyl)-2-hydroxy-5-(2-methylpropyl)phenyl]-(1,3-dihydroisoindol-2-yl)methanone
CID 156596190
ethane;(2-hydroxy-4-methoxy-5-propan-2-ylphenyl)-(5-methyl-1,3-dihydroisoindol-2-yl)methanone
CID 176552286
1,3-dihydroisoindol-2-yl-(4-hydroxy-7-propan-2-yl-1,2-benzoxazol-5-yl)methanone
CID 137287276
(2,5-dihydroxy-4-propan-2-ylphenyl)-(5-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-5-ium-2-yl)methanone
CID 176552287
6-(1,3-dihydroisoindole-2-carbonyl)-2-ethyl-7-hydroxy-4-propan-2-yl-3H-isoindol-1-one
CID 156596218
N-[2-(2,4-dihydroxy-5-propan-2-ylbenzoyl)-1,3-dihydroisoindol-5-yl]-N'-hydroxybutanediamide
CID 162652149

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylphenyl]formamide?
The IUPAC name of N-[4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylphenyl]formamide (CID 156596198) is N-[4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylphenyl]formamide.
What is the SMILES notation for N-[4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylphenyl]formamide?
The canonical SMILES for N-[4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylphenyl]formamide is CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1NC=O.
What is the InChIKey of N-[4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylphenyl]formamide?
The InChIKey is TVSQFCLLEPUJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12(2)15-7-16(18(23)8-17(15)20-11-22)19(24)21-9-13-5-3-4-6-14(13)10-21/h3-8,11-12,23H,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylphenyl]formamide?
N-[4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylphenyl]formamide has a molecular weight of 324.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dihydroisoindole-2-carbonyl)-5-hydroxy-2-propan-2-ylphenyl]formamide is sourced from PubChem (CID 156596198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).