6-methoxy-2-oxo-N-(1-phenylethyl)chromene-3-carboxamide

C19H17NO4 — CID 2880837

IUPAC6-methoxy-2-oxo-N-(1-phenylethyl)chromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)NC(C)c3ccccc3)cc2c1
InChIInChI=1S/C19H17NO4/c1-12(13-6-4-3-5-7-13)20-18(21)16-11-14-10-15(23-2)8-9-17(14)24-19(16)22/h3-12H,1-2H3,(H,20,21)
InChIKeyATMJKOIKPAHBRI-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.29
Rot. Bonds4

About 6-methoxy-2-oxo-N-(1-phenylethyl)chromene-3-carboxamide

6-methoxy-2-oxo-N-(1-phenylethyl)chromene-3-carboxamide (PubChem CID 2880837) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 6-methoxy-2-oxo-N-(1-phenylethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-2-oxo-N-(1-phenylethyl)chromene-3-carboxamide
PubChem CID2880837
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name6-methoxy-2-oxo-N-(1-phenylethyl)chromene-3-carboxamide
SMILESCOc1ccc2oc(=O)c(C(=O)NC(C)c3ccccc3)cc2c1
InChIInChI=1S/C19H17NO4/c1-12(13-6-4-3-5-7-13)20-18(21)16-11-14-10-15(23-2)8-9-17(14)24-19(16)22/h3-12H,1-2H3,(H,20,21)
InChIKeyATMJKOIKPAHBRI-UHFFFAOYSA-N
XLogP3.29
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Oxo-N-(phenylmethyl)-2H-1-benzopyran-3-carboxamide
CID 120587
2-oxo-N-(2-phenylethyl)-2H-chromene-3-carboxamide
CID 728535
2-oxo-N-(1-phenylethyl)-2H-chromene-3-carboxamide
CID 2788317
N-cyclohexyl-2-oxo-2H-chromene-3-carboxamide
CID 724217
2H-1-Benzopyran-3-carboxamide, N,N'-1,4-butanediylbis[2-oxo-
CID 3559465
8-methoxy-2-oxo-N-(2-phenylethyl)-2H-chromene-3-carboxamide
CID 712647
N,N'-Ethylenebis(3-coumarincarboxamide)
CID 599283
N-isopropyl-2-oxo-2H-chromene-3-carboxamide
CID 682187
6-methoxy-N-(2-methylphenyl)-2-oxochromene-3-carboxamide
CID 804906
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-2H-chromene-3-carboxamide
CID 869121
N-cycloheptyl-2-oxo-2H-chromene-3-carboxamide
CID 898402
N-[2-(4-fluorophenyl)ethyl]-2-oxo-2H-chromene-3-carboxamide
CID 1244317

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-oxo-N-(1-phenylethyl)chromene-3-carboxamide?
The IUPAC name of 6-methoxy-2-oxo-N-(1-phenylethyl)chromene-3-carboxamide (CID 2880837) is 6-methoxy-2-oxo-N-(1-phenylethyl)chromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-2-oxo-N-(1-phenylethyl)chromene-3-carboxamide?
The canonical SMILES for 6-methoxy-2-oxo-N-(1-phenylethyl)chromene-3-carboxamide is COc1ccc2oc(=O)c(C(=O)NC(C)c3ccccc3)cc2c1.
What is the InChIKey of 6-methoxy-2-oxo-N-(1-phenylethyl)chromene-3-carboxamide?
The InChIKey is ATMJKOIKPAHBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-12(13-6-4-3-5-7-13)20-18(21)16-11-14-10-15(23-2)8-9-17(14)24-19(16)22/h3-12H,1-2H3,(H,20,21).
What are the key properties of 6-methoxy-2-oxo-N-(1-phenylethyl)chromene-3-carboxamide?
6-methoxy-2-oxo-N-(1-phenylethyl)chromene-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-oxo-N-(1-phenylethyl)chromene-3-carboxamide is sourced from PubChem (CID 2880837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).