7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide

C14H15NO4 — CID 51998193

IUPAC7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide
SMILESCOc1ccc2c(=O)cc(C(=O)NC(C)C)oc2c1
InChIInChI=1S/C14H15NO4/c1-8(2)15-14(17)13-7-11(16)10-5-4-9(18-3)6-12(10)19-13/h4-8H,1-3H3,(H,15,17)
InChIKeyAEZNNERCLMQRSA-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.94
Rot. Bonds3

About 7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide

7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide (PubChem CID 51998193) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide
PubChem CID51998193
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide
SMILESCOc1ccc2c(=O)cc(C(=O)NC(C)C)oc2c1
InChIInChI=1S/C14H15NO4/c1-8(2)15-14(17)13-7-11(16)10-5-4-9(18-3)6-12(10)19-13/h4-8H,1-3H3,(H,15,17)
InChIKeyAEZNNERCLMQRSA-UHFFFAOYSA-N
XLogP1.94
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 7-methoxy-4-oxochromene-2-carboxylate
CID 739444
N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998192
N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998191
7-methoxy-N-naphthalen-2-yl-4-oxochromene-2-carboxamide
CID 51998176
N-[(3-chlorophenyl)methyl]-7-methoxy-4-oxochromene-2-carboxamide
CID 51998294
7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
CID 51998270
N-[1-(4-methoxyphenyl)propyl]-4-oxochromene-2-carboxamide
CID 78798389
7-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11676170
N-(1-ethylpyrazol-4-yl)-7-methoxy-4-oxochromene-2-carboxamide
CID 51998327
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
CID 7782409
2-ethyl-7-methoxychromen-4-one
CID 10013150
methyl 6-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxylate
CID 15131055

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide?
The IUPAC name of 7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide (CID 51998193) is 7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide.
What is the SMILES notation for 7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide?
The canonical SMILES for 7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide is COc1ccc2c(=O)cc(C(=O)NC(C)C)oc2c1.
What is the InChIKey of 7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide?
The InChIKey is AEZNNERCLMQRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-8(2)15-14(17)13-7-11(16)10-5-4-9(18-3)6-12(10)19-13/h4-8H,1-3H3,(H,15,17).
What are the key properties of 7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide?
7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide is sourced from PubChem (CID 51998193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).