6-methoxy-2-oxo-N-pentan-2-ylchromene-3-carboxamide

C16H19NO4 — CID 133184087

IUPAC6-methoxy-2-oxo-N-pentan-2-ylchromene-3-carboxamide
SMILESCCCC(C)NC(=O)c1cc2cc(OC)ccc2oc1=O
InChIInChI=1S/C16H19NO4/c1-4-5-10(2)17-15(18)13-9-11-8-12(20-3)6-7-14(11)21-16(13)19/h6-10H,4-5H2,1-3H3,(H,17,18)
InChIKeyZDDFBBQTRURQNO-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.72
Rot. Bonds5

About 6-methoxy-2-oxo-N-pentan-2-ylchromene-3-carboxamide

6-methoxy-2-oxo-N-pentan-2-ylchromene-3-carboxamide (PubChem CID 133184087) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 6-methoxy-2-oxo-N-pentan-2-ylchromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-2-oxo-N-pentan-2-ylchromene-3-carboxamide
PubChem CID133184087
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name6-methoxy-2-oxo-N-pentan-2-ylchromene-3-carboxamide
SMILESCCCC(C)NC(=O)c1cc2cc(OC)ccc2oc1=O
InChIInChI=1S/C16H19NO4/c1-4-5-10(2)17-15(18)13-9-11-8-12(20-3)6-7-14(11)21-16(13)19/h6-10H,4-5H2,1-3H3,(H,17,18)
InChIKeyZDDFBBQTRURQNO-UHFFFAOYSA-N
XLogP2.72
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.72
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

6-methoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
CID 2148152
6-methoxy-2-oxo-N-(2-propan-2-ylphenyl)chromene-3-carboxamide
CID 19207085
propyl 4-[(6-methoxy-2-oxochromene-3-carbonyl)amino]benzoate
CID 19207105
N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 4059771
6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide
CID 3786468
6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
CID 4913043
2-[(7-methoxy-2-oxochromene-3-carbonyl)amino]propanedioic acid
CID 20823648
6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide
CID 16645470
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
[3-(butan-2-ylcarbamoyl)-2-oxochromen-7-yl] butanoate
CID 19185665
8-chloro-2-oxo-N-[(2R)-pentan-2-yl]chromene-3-carboxamide
CID 100794915

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-oxo-N-pentan-2-ylchromene-3-carboxamide?
The IUPAC name of 6-methoxy-2-oxo-N-pentan-2-ylchromene-3-carboxamide (CID 133184087) is 6-methoxy-2-oxo-N-pentan-2-ylchromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-2-oxo-N-pentan-2-ylchromene-3-carboxamide?
The canonical SMILES for 6-methoxy-2-oxo-N-pentan-2-ylchromene-3-carboxamide is CCCC(C)NC(=O)c1cc2cc(OC)ccc2oc1=O.
What is the InChIKey of 6-methoxy-2-oxo-N-pentan-2-ylchromene-3-carboxamide?
The InChIKey is ZDDFBBQTRURQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-4-5-10(2)17-15(18)13-9-11-8-12(20-3)6-7-14(11)21-16(13)19/h6-10H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 6-methoxy-2-oxo-N-pentan-2-ylchromene-3-carboxamide?
6-methoxy-2-oxo-N-pentan-2-ylchromene-3-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 2.72, 5 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-pentan-2-ylchromene-3-carboxamide is sourced from PubChem (CID 133184087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).