N,N-diethyl-8-methoxy-2-oxochromene-3-carboxamide

C15H17NO4 — CID 807442

IUPACN,N-diethyl-8-methoxy-2-oxochromene-3-carboxamide
SMILESCCN(CC)C(=O)c1cc2cccc(OC)c2oc1=O
InChIInChI=1S/C15H17NO4/c1-4-16(5-2)14(17)11-9-10-7-6-8-12(19-3)13(10)20-15(11)18/h6-9H,4-5H2,1-3H3
InChIKeyLPHPNGAUKCBUCW-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.28
Rot. Bonds4

About N,N-diethyl-8-methoxy-2-oxochromene-3-carboxamide

N,N-diethyl-8-methoxy-2-oxochromene-3-carboxamide (PubChem CID 807442) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is N,N-diethyl-8-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-8-methoxy-2-oxochromene-3-carboxamide
PubChem CID807442
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC NameN,N-diethyl-8-methoxy-2-oxochromene-3-carboxamide
SMILESCCN(CC)C(=O)c1cc2cccc(OC)c2oc1=O
InChIInChI=1S/C15H17NO4/c1-4-16(5-2)14(17)11-9-10-7-6-8-12(19-3)13(10)20-15(11)18/h6-9H,4-5H2,1-3H3
InChIKeyLPHPNGAUKCBUCW-UHFFFAOYSA-N
XLogP2.28
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-8-methoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 1259476
8-methoxy-N-(2-methoxyethyl)-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
CID 121085165
8-ethoxy-N-ethyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
CID 6468907
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
N-ethyl-N-(2-hydroxyethyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 110888631
N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002
3-(azetidine-1-carbonyl)-8-methoxychromen-2-one
CID 2443516
8-methoxy-2-oxochromene-3-carboxamide;methylthiourea
CID 21235892
8-methoxy-3-(2-pyridin-1-ium-1-ylacetyl)chromen-2-one chloride
CID 18558477
3-(4-butoxybenzoyl)-8-methoxychromen-2-one
CID 53353118
3-(hydroxymethyl)-8-methoxychromen-2-one
CID 21128834
3-(azocane-1-carbonyl)-8-methoxychromen-2-one
CID 6471057

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-8-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N,N-diethyl-8-methoxy-2-oxochromene-3-carboxamide (CID 807442) is N,N-diethyl-8-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N,N-diethyl-8-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N,N-diethyl-8-methoxy-2-oxochromene-3-carboxamide is CCN(CC)C(=O)c1cc2cccc(OC)c2oc1=O.
What is the InChIKey of N,N-diethyl-8-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is LPHPNGAUKCBUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-4-16(5-2)14(17)11-9-10-7-6-8-12(19-3)13(10)20-15(11)18/h6-9H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-8-methoxy-2-oxochromene-3-carboxamide?
N,N-diethyl-8-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 275.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-8-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 807442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).