N-ethyl-8-methoxy-2-oxo-N-phenylchromene-3-carboxamide

C19H17NO4 — CID 1259476

IUPACN-ethyl-8-methoxy-2-oxo-N-phenylchromene-3-carboxamide
SMILESCCN(C(=O)c1cc2cccc(OC)c2oc1=O)c1ccccc1
InChIInChI=1S/C19H17NO4/c1-3-20(14-9-5-4-6-10-14)18(21)15-12-13-8-7-11-16(23-2)17(13)24-19(15)22/h4-12H,3H2,1-2H3
InChIKeyRAEFFUAWHDCLRC-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.47
Rot. Bonds4

About N-ethyl-8-methoxy-2-oxo-N-phenylchromene-3-carboxamide

N-ethyl-8-methoxy-2-oxo-N-phenylchromene-3-carboxamide (PubChem CID 1259476) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-ethyl-8-methoxy-2-oxo-N-phenylchromene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-8-methoxy-2-oxo-N-phenylchromene-3-carboxamide
PubChem CID1259476
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC NameN-ethyl-8-methoxy-2-oxo-N-phenylchromene-3-carboxamide
SMILESCCN(C(=O)c1cc2cccc(OC)c2oc1=O)c1ccccc1
InChIInChI=1S/C19H17NO4/c1-3-20(14-9-5-4-6-10-14)18(21)15-12-13-8-7-11-16(23-2)17(13)24-19(15)22/h4-12H,3H2,1-2H3
InChIKeyRAEFFUAWHDCLRC-UHFFFAOYSA-N
XLogP3.47
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-8-methoxy-2-oxochromene-3-carboxamide
CID 807442
N-ethyl-N-(4-fluorophenyl)-2-oxochromene-3-carboxamide
CID 51198607
N-ethyl-3-oxo-N-phenylbenzo[f]chromene-2-carboxamide
CID 16645676
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002
3-(azetidine-1-carbonyl)-8-methoxychromen-2-one
CID 2443516
8-methoxy-3-(2-pyridin-1-ium-1-ylacetyl)chromen-2-one chloride
CID 18558477
(2S)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]propanoic acid
CID 10493768
8-methoxy-2-oxochromene-3-carboxamide;methylthiourea
CID 21235892
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 90551984
8-methoxy-N-(2-methoxyethyl)-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
CID 121085165
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 90581507

Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-methoxy-2-oxo-N-phenylchromene-3-carboxamide?
The IUPAC name of N-ethyl-8-methoxy-2-oxo-N-phenylchromene-3-carboxamide (CID 1259476) is N-ethyl-8-methoxy-2-oxo-N-phenylchromene-3-carboxamide.
What is the SMILES notation for N-ethyl-8-methoxy-2-oxo-N-phenylchromene-3-carboxamide?
The canonical SMILES for N-ethyl-8-methoxy-2-oxo-N-phenylchromene-3-carboxamide is CCN(C(=O)c1cc2cccc(OC)c2oc1=O)c1ccccc1.
What is the InChIKey of N-ethyl-8-methoxy-2-oxo-N-phenylchromene-3-carboxamide?
The InChIKey is RAEFFUAWHDCLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-3-20(14-9-5-4-6-10-14)18(21)15-12-13-8-7-11-16(23-2)17(13)24-19(15)22/h4-12H,3H2,1-2H3.
What are the key properties of N-ethyl-8-methoxy-2-oxo-N-phenylchromene-3-carboxamide?
N-ethyl-8-methoxy-2-oxo-N-phenylchromene-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-methoxy-2-oxo-N-phenylchromene-3-carboxamide is sourced from PubChem (CID 1259476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).