N-ethyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide

C19H17NO3 — CID 2242832

IUPACN-ethyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2oc1=O)c1cccc(C)c1
InChIInChI=1S/C19H17NO3/c1-3-20(15-9-6-7-13(2)11-15)18(21)16-12-14-8-4-5-10-17(14)23-19(16)22/h4-12H,3H2,1-2H3
InChIKeyNCHXCTDLFRGQTA-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.77
Rot. Bonds3

About N-ethyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide

N-ethyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide (PubChem CID 2242832) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide
PubChem CID2242832
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC NameN-ethyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2oc1=O)c1cccc(C)c1
InChIInChI=1S/C19H17NO3/c1-3-20(15-9-6-7-13(2)11-15)18(21)16-12-14-8-4-5-10-17(14)23-19(16)22/h4-12H,3H2,1-2H3
InChIKeyNCHXCTDLFRGQTA-UHFFFAOYSA-N
XLogP3.77
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide (CID 2242832) is N-ethyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide is CCN(C(=O)c1cc2ccccc2oc1=O)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is NCHXCTDLFRGQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-3-20(15-9-6-7-13(2)11-15)18(21)16-12-14-8-4-5-10-17(14)23-19(16)22/h4-12H,3H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide?
N-ethyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 2242832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).