N-(furan-2-ylmethyl)-7-methoxy-2-oxochromene-3-carboxamide

C16H13NO5 — CID 1351403

IUPACN-(furan-2-ylmethyl)-7-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1
InChIInChI=1S/C16H13NO5/c1-20-11-5-4-10-7-13(16(19)22-14(10)8-11)15(18)17-9-12-3-2-6-21-12/h2-8H,9H2,1H3,(H,17,18)
InChIKeyILTSDUFMLKVXCG-UHFFFAOYSA-N
MW299.28 g/mol
LogP2.32
Rot. Bonds4

About N-(furan-2-ylmethyl)-7-methoxy-2-oxochromene-3-carboxamide

N-(furan-2-ylmethyl)-7-methoxy-2-oxochromene-3-carboxamide (PubChem CID 1351403) has the molecular formula C16H13NO5 and a molecular weight of 299.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-7-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-7-methoxy-2-oxochromene-3-carboxamide
PubChem CID1351403
Molecular FormulaC16H13NO5
Molecular Weight299.28 g/mol
Exact Mass299.08
IUPAC NameN-(furan-2-ylmethyl)-7-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1
InChIInChI=1S/C16H13NO5/c1-20-11-5-4-10-7-13(16(19)22-14(10)8-11)15(18)17-9-12-3-2-6-21-12/h2-8H,9H2,1H3,(H,17,18)
InChIKeyILTSDUFMLKVXCG-UHFFFAOYSA-N
XLogP2.32
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Furylmethyl)-2-methoxybenzamide
CID 803371
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 2120540
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2433535
N-benzyl-7-methoxy-2-oxo-2H-chromene-3-carboxamide
CID 3164596
[1-(furan-2-ylmethylamino)-1-oxobutan-2-yl] 2H-chromene-3-carboxylate
CID 3230502
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767823
[1-(Furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-pentoxybenzoate
CID 24686896
2-ethoxy-N-(furan-2-ylmethyl)benzamide
CID 649290
2-[(furan-2-ylmethylamino)methyl]-3,4-dihydro-2H-chromen-7-ol;oxalic acid
CID 19432943
[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 2364145
2-((4-ethyl-8,8-dimethyl-2-oxo-2,8,9,10-tetrahydropyrano[2,3-f]chromen-5-yl)oxy)-N-(furan-2-ylmethyl)acetamide
CID 4869966
N-(furan-2-ylmethyl)-2-((4,8,8-trimethyl-2-oxo-2,8,9,10-tetrahydropyrano[2,3-f]chromen-5-yl)oxy)acetamide
CID 4967645

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-7-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-7-methoxy-2-oxochromene-3-carboxamide (CID 1351403) is N-(furan-2-ylmethyl)-7-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-7-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-7-methoxy-2-oxochromene-3-carboxamide is COc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-7-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is ILTSDUFMLKVXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5/c1-20-11-5-4-10-7-13(16(19)22-14(10)8-11)15(18)17-9-12-3-2-6-21-12/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of N-(furan-2-ylmethyl)-7-methoxy-2-oxochromene-3-carboxamide?
N-(furan-2-ylmethyl)-7-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 299.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-7-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 1351403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).