N-(2-ethylphenyl)-8-methyl-2-oxochromene-3-carboxamide

C19H17NO3 — CID 100794147

IUPACN-(2-ethylphenyl)-8-methyl-2-oxochromene-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc2cccc(C)c2oc1=O
InChIInChI=1S/C19H17NO3/c1-3-13-8-4-5-10-16(13)20-18(21)15-11-14-9-6-7-12(2)17(14)23-19(15)22/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyWEZPMSIDCHGZOI-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.92
Rot. Bonds3

About N-(2-ethylphenyl)-8-methyl-2-oxochromene-3-carboxamide

N-(2-ethylphenyl)-8-methyl-2-oxochromene-3-carboxamide (PubChem CID 100794147) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(2-ethylphenyl)-8-methyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-8-methyl-2-oxochromene-3-carboxamide
PubChem CID100794147
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC NameN-(2-ethylphenyl)-8-methyl-2-oxochromene-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc2cccc(C)c2oc1=O
InChIInChI=1S/C19H17NO3/c1-3-13-8-4-5-10-16(13)20-18(21)15-11-14-9-6-7-12(2)17(14)23-19(15)22/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyWEZPMSIDCHGZOI-UHFFFAOYSA-N
XLogP3.92
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002
N-(2-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794157
8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide
CID 16645381
N-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide
CID 48981916
8-chloro-N-(2-ethyl-6-methylphenyl)-2-oxochromene-3-carboxamide
CID 100794759
N-[(2S)-butan-2-yl]-8-methyl-2-oxochromene-3-carboxamide
CID 100794085
N-butan-2-yl-8-methyl-2-oxochromene-3-carboxamide
CID 133155176
N-(2-benzoyl-4-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794292
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
N-(2-ethylphenyl)-2,3-dimethylbenzamide
CID 7923827
N-(1,3-benzodioxol-5-yl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794204
N-(2,4-dimethylphenyl)-2-oxo-8-prop-2-enylchromene-3-carboxamide
CID 810659

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-8-methyl-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-8-methyl-2-oxochromene-3-carboxamide (CID 100794147) is N-(2-ethylphenyl)-8-methyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-8-methyl-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-8-methyl-2-oxochromene-3-carboxamide is CCc1ccccc1NC(=O)c1cc2cccc(C)c2oc1=O.
What is the InChIKey of N-(2-ethylphenyl)-8-methyl-2-oxochromene-3-carboxamide?
The InChIKey is WEZPMSIDCHGZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-3-13-8-4-5-10-16(13)20-18(21)15-11-14-9-6-7-12(2)17(14)23-19(15)22/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(2-ethylphenyl)-8-methyl-2-oxochromene-3-carboxamide?
N-(2-ethylphenyl)-8-methyl-2-oxochromene-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-8-methyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 100794147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).