N-[(2-hydroxyphenyl)methyl]-1-oxo-N-propyl-3,4-dihydroisochromene-3-carboxamide

C20H21NO4 — CID 51132662

IUPACN-[(2-hydroxyphenyl)methyl]-1-oxo-N-propyl-3,4-dihydroisochromene-3-carboxamide
SMILESCCCN(Cc1ccccc1O)C(=O)C1Cc2ccccc2C(=O)O1
InChIInChI=1S/C20H21NO4/c1-2-11-21(13-15-8-4-6-10-17(15)22)19(23)18-12-14-7-3-5-9-16(14)20(24)25-18/h3-10,18,22H,2,11-13H2,1H3
InChIKeyODRYCROAPLSDSR-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.91
Rot. Bonds5

About N-[(2-hydroxyphenyl)methyl]-1-oxo-N-propyl-3,4-dihydroisochromene-3-carboxamide

N-[(2-hydroxyphenyl)methyl]-1-oxo-N-propyl-3,4-dihydroisochromene-3-carboxamide (PubChem CID 51132662) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-1-oxo-N-propyl-3,4-dihydroisochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-1-oxo-N-propyl-3,4-dihydroisochromene-3-carboxamide
PubChem CID51132662
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC NameN-[(2-hydroxyphenyl)methyl]-1-oxo-N-propyl-3,4-dihydroisochromene-3-carboxamide
SMILESCCCN(Cc1ccccc1O)C(=O)C1Cc2ccccc2C(=O)O1
InChIInChI=1S/C20H21NO4/c1-2-11-21(13-15-8-4-6-10-17(15)22)19(23)18-12-14-7-3-5-9-16(14)20(24)25-18/h3-10,18,22H,2,11-13H2,1H3
InChIKeyODRYCROAPLSDSR-UHFFFAOYSA-N
XLogP2.91
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51175347
(3S)-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 95325980
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51175223
N-ethyl-N-naphthalen-1-yl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 55614745
N-(2-methoxyethyl)-1-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3,4-dihydroisochromene-3-carboxamide
CID 135854771
N-methyl-1-oxo-N-(1-phenylethyl)-3,4-dihydroisochromene-3-carboxamide
CID 51188217
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 43020017
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 42916303
N-methyl-1-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroisochromene-3-carboxamide
CID 43057959
N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698818
3-propyl-3,4-dihydroisochromen-1-one
CID 11116834
N-(2-bromoethyl)-N-butyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 80659567

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-1-oxo-N-propyl-3,4-dihydroisochromene-3-carboxamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-1-oxo-N-propyl-3,4-dihydroisochromene-3-carboxamide (CID 51132662) is N-[(2-hydroxyphenyl)methyl]-1-oxo-N-propyl-3,4-dihydroisochromene-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-1-oxo-N-propyl-3,4-dihydroisochromene-3-carboxamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-1-oxo-N-propyl-3,4-dihydroisochromene-3-carboxamide is CCCN(Cc1ccccc1O)C(=O)C1Cc2ccccc2C(=O)O1.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-1-oxo-N-propyl-3,4-dihydroisochromene-3-carboxamide?
The InChIKey is ODRYCROAPLSDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-2-11-21(13-15-8-4-6-10-17(15)22)19(23)18-12-14-7-3-5-9-16(14)20(24)25-18/h3-10,18,22H,2,11-13H2,1H3.
What are the key properties of N-[(2-hydroxyphenyl)methyl]-1-oxo-N-propyl-3,4-dihydroisochromene-3-carboxamide?
N-[(2-hydroxyphenyl)methyl]-1-oxo-N-propyl-3,4-dihydroisochromene-3-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-1-oxo-N-propyl-3,4-dihydroisochromene-3-carboxamide is sourced from PubChem (CID 51132662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).