2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide

C19H17NO3 — CID 724176

IUPAC2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C19H17NO3/c1-12(2)13-7-9-15(10-8-13)20-18(21)16-11-14-5-3-4-6-17(14)23-19(16)22/h3-12H,1-2H3,(H,20,21)
InChIKeyBIOLFVSCKKADAP-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.17
Rot. Bonds3

About 2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide

2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide (PubChem CID 724176) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
PubChem CID724176
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C19H17NO3/c1-12(2)13-7-9-15(10-8-13)20-18(21)16-11-14-5-3-4-6-17(14)23-19(16)22/h3-12H,1-2H3,(H,20,21)
InChIKeyBIOLFVSCKKADAP-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
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

2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 154578174
3-(2-oxochromen-3-yl)-N-(4-propan-2-ylphenyl)benzamide
CID 3790128
N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 1442136
N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23658676
2-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide
CID 7202864
2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 110493370
N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 5346060
2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide
CID 51157990

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide (CID 724176) is 2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide is CC(C)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of 2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide?
The InChIKey is BIOLFVSCKKADAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-12(2)13-7-9-15(10-8-13)20-18(21)16-11-14-5-3-4-6-17(14)23-19(16)22/h3-12H,1-2H3,(H,20,21).
What are the key properties of 2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide?
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide is sourced from PubChem (CID 724176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).