6-methoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide

C15H17NO5 — CID 2148152

IUPAC6-methoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
SMILESCOCCCNC(=O)c1cc2cc(OC)ccc2oc1=O
InChIInChI=1S/C15H17NO5/c1-19-7-3-6-16-14(17)12-9-10-8-11(20-2)4-5-13(10)21-15(12)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyAJWUTLMXIYMEET-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.57
Rot. Bonds6

About 6-methoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide

6-methoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide (PubChem CID 2148152) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 6-methoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
PubChem CID2148152
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name6-methoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
SMILESCOCCCNC(=O)c1cc2cc(OC)ccc2oc1=O
InChIInChI=1S/C15H17NO5/c1-19-7-3-6-16-14(17)12-9-10-8-11(20-2)4-5-13(10)21-15(12)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyAJWUTLMXIYMEET-UHFFFAOYSA-N
XLogP1.57
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 4059771
7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
CID 5262259
[3-(3-methoxypropylcarbamoyl)-2-oxochromen-7-yl] 2-methylbenzoate
CID 19185930
[3-(3-methoxypropylcarbamoyl)-2-oxochromen-7-yl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 19186217
6-methoxy-2-oxo-N-pentan-2-ylchromene-3-carboxamide
CID 133184087
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058
6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide
CID 3786468
2-amino-5-methoxy-N-(3-methoxypropyl)benzamide
CID 54878569
6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide
CID 16645470
methyl 6-[(6-bromo-2-oxochromene-3-carbonyl)amino]hexanoate
CID 3803342
6-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide
CID 19207124
N'-(2,4-dichlorobenzoyl)-6-methoxy-2-oxochromene-3-carbohydrazide
CID 21239589

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 6-methoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide (CID 2148152) is 6-methoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 6-methoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide is COCCCNC(=O)c1cc2cc(OC)ccc2oc1=O.
What is the InChIKey of 6-methoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide?
The InChIKey is AJWUTLMXIYMEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-19-7-3-6-16-14(17)12-9-10-8-11(20-2)4-5-13(10)21-15(12)18/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,17).
What are the key properties of 6-methoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide?
6-methoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide has a molecular weight of 291.30 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 2148152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).