N-methyl-1-oxo-N-(1-phenylethyl)-3,4-dihydroisochromene-3-carboxamide

C19H19NO3 — CID 51188217

IUPACN-methyl-1-oxo-N-(1-phenylethyl)-3,4-dihydroisochromene-3-carboxamide
SMILESCC(c1ccccc1)N(C)C(=O)C1Cc2ccccc2C(=O)O1
InChIInChI=1S/C19H19NO3/c1-13(14-8-4-3-5-9-14)20(2)18(21)17-12-15-10-6-7-11-16(15)19(22)23-17/h3-11,13,17H,12H2,1-2H3
InChIKeyDKNZEAUAPBVKPW-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.99
Rot. Bonds3

About N-methyl-1-oxo-N-(1-phenylethyl)-3,4-dihydroisochromene-3-carboxamide

N-methyl-1-oxo-N-(1-phenylethyl)-3,4-dihydroisochromene-3-carboxamide (PubChem CID 51188217) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-methyl-1-oxo-N-(1-phenylethyl)-3,4-dihydroisochromene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-oxo-N-(1-phenylethyl)-3,4-dihydroisochromene-3-carboxamide
PubChem CID51188217
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC NameN-methyl-1-oxo-N-(1-phenylethyl)-3,4-dihydroisochromene-3-carboxamide
SMILESCC(c1ccccc1)N(C)C(=O)C1Cc2ccccc2C(=O)O1
InChIInChI=1S/C19H19NO3/c1-13(14-8-4-3-5-9-14)20(2)18(21)17-12-15-10-6-7-11-16(15)19(22)23-17/h3-11,13,17H,12H2,1-2H3
InChIKeyDKNZEAUAPBVKPW-UHFFFAOYSA-N
XLogP2.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51232488
N-benzyl-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51175347
(2R)-N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51932993
N-benzhydryl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51174866
2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]propanoic acid
CID 55098742
(3S)-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 95325980
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 43020017
(3R)-1-oxo-N-phenyl-3,4-dihydroisochromene-3-carboxamide
CID 2146542
N-[1-(3-bromophenyl)ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 43059240
(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25354183
(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37494142
N-ethyl-N-naphthalen-1-yl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 55614745

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-oxo-N-(1-phenylethyl)-3,4-dihydroisochromene-3-carboxamide?
The IUPAC name of N-methyl-1-oxo-N-(1-phenylethyl)-3,4-dihydroisochromene-3-carboxamide (CID 51188217) is N-methyl-1-oxo-N-(1-phenylethyl)-3,4-dihydroisochromene-3-carboxamide.
What is the SMILES notation for N-methyl-1-oxo-N-(1-phenylethyl)-3,4-dihydroisochromene-3-carboxamide?
The canonical SMILES for N-methyl-1-oxo-N-(1-phenylethyl)-3,4-dihydroisochromene-3-carboxamide is CC(c1ccccc1)N(C)C(=O)C1Cc2ccccc2C(=O)O1.
What is the InChIKey of N-methyl-1-oxo-N-(1-phenylethyl)-3,4-dihydroisochromene-3-carboxamide?
The InChIKey is DKNZEAUAPBVKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13(14-8-4-3-5-9-14)20(2)18(21)17-12-15-10-6-7-11-16(15)19(22)23-17/h3-11,13,17H,12H2,1-2H3.
What are the key properties of N-methyl-1-oxo-N-(1-phenylethyl)-3,4-dihydroisochromene-3-carboxamide?
N-methyl-1-oxo-N-(1-phenylethyl)-3,4-dihydroisochromene-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-oxo-N-(1-phenylethyl)-3,4-dihydroisochromene-3-carboxamide is sourced from PubChem (CID 51188217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).