N-(4-methylphenyl)-3,4-dihydro-1H-isochromene-1-carboxamide

C17H17NO2 — CID 3145055

IUPACN-(4-methylphenyl)-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCc1ccc(NC(=O)C2OCCc3ccccc32)cc1
InChIInChI=1S/C17H17NO2/c1-12-6-8-14(9-7-12)18-17(19)16-15-5-3-2-4-13(15)10-11-20-16/h2-9,16H,10-11H2,1H3,(H,18,19)
InChIKeyOFQQJISOLOFRIF-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.25
Rot. Bonds2

About N-(4-methylphenyl)-3,4-dihydro-1H-isochromene-1-carboxamide

N-(4-methylphenyl)-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 3145055) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(4-methylphenyl)-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID3145055
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-(4-methylphenyl)-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESCc1ccc(NC(=O)C2OCCc3ccccc32)cc1
InChIInChI=1S/C17H17NO2/c1-12-6-8-14(9-7-12)18-17(19)16-15-5-3-2-4-13(15)10-11-20-16/h2-9,16H,10-11H2,1H3,(H,18,19)
InChIKeyOFQQJISOLOFRIF-UHFFFAOYSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-methylphenyl)-3,4-dihydro-1H-isochromene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-3,4-dihydro-1H-isochromene-1-carboxamide (CID 3145055) is N-(4-methylphenyl)-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-3,4-dihydro-1H-isochromene-1-carboxamide is Cc1ccc(NC(=O)C2OCCc3ccccc32)cc1.
What is the InChIKey of N-(4-methylphenyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is OFQQJISOLOFRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-6-8-14(9-7-12)18-17(19)16-15-5-3-2-4-13(15)10-11-20-16/h2-9,16H,10-11H2,1H3,(H,18,19).
What are the key properties of N-(4-methylphenyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
N-(4-methylphenyl)-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 3145055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).