2-oxo-N-[(E)-4-phenylbut-3-enyl]chromene-3-carboxamide

C20H17NO3 — CID 110667582

IUPAC2-oxo-N-[(E)-4-phenylbut-3-enyl]chromene-3-carboxamide
SMILESO=C(NCC/C=C/c1ccccc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H17NO3/c22-19(21-13-7-6-10-15-8-2-1-3-9-15)17-14-16-11-4-5-12-18(16)24-20(17)23/h1-6,8-12,14H,7,13H2,(H,21,22)/b10-6+
InChIKeyPEWXCRABPDNOJK-UXBLZVDNSA-N
MW319.36 g/mol
LogP3.63
Rot. Bonds5

About 2-oxo-N-[(E)-4-phenylbut-3-enyl]chromene-3-carboxamide

2-oxo-N-[(E)-4-phenylbut-3-enyl]chromene-3-carboxamide (PubChem CID 110667582) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-oxo-N-[(E)-4-phenylbut-3-enyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(E)-4-phenylbut-3-enyl]chromene-3-carboxamide
PubChem CID110667582
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name2-oxo-N-[(E)-4-phenylbut-3-enyl]chromene-3-carboxamide
SMILESO=C(NCC/C=C/c1ccccc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H17NO3/c22-19(21-13-7-6-10-15-8-2-1-3-9-15)17-14-16-11-4-5-12-18(16)24-20(17)23/h1-6,8-12,14H,7,13H2,(H,21,22)/b10-6+
InChIKeyPEWXCRABPDNOJK-UXBLZVDNSA-N
XLogP3.63
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide
CID 91954791
N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110745473
N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 1244317
3-[(2-oxochromene-3-carbonyl)amino]propyl benzoate
CID 19189384
[2-[2-[(2-oxochromene-3-carbonyl)amino]ethylcarbamoyl]phenyl] acetate
CID 6612133
N-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide
CID 104593757
2-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]chromene-3-carboxamide
CID 110741030
N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide
CID 18113602
2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide
CID 110742740

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(E)-4-phenylbut-3-enyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[(E)-4-phenylbut-3-enyl]chromene-3-carboxamide (CID 110667582) is 2-oxo-N-[(E)-4-phenylbut-3-enyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[(E)-4-phenylbut-3-enyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[(E)-4-phenylbut-3-enyl]chromene-3-carboxamide is O=C(NCC/C=C/c1ccccc1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[(E)-4-phenylbut-3-enyl]chromene-3-carboxamide?
The InChIKey is PEWXCRABPDNOJK-UXBLZVDNSA-N. The full InChI is InChI=1S/C20H17NO3/c22-19(21-13-7-6-10-15-8-2-1-3-9-15)17-14-16-11-4-5-12-18(16)24-20(17)23/h1-6,8-12,14H,7,13H2,(H,21,22)/b10-6+.
What are the key properties of 2-oxo-N-[(E)-4-phenylbut-3-enyl]chromene-3-carboxamide?
2-oxo-N-[(E)-4-phenylbut-3-enyl]chromene-3-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(E)-4-phenylbut-3-enyl]chromene-3-carboxamide is sourced from PubChem (CID 110667582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).