7-methoxy-N,N-dimethyl-2-oxo-4-phenylchromene-3-carboxamide

C19H17NO4 — CID 177461075

IUPAC7-methoxy-N,N-dimethyl-2-oxo-4-phenylchromene-3-carboxamide
SMILESCOc1ccc2c(-c3ccccc3)c(C(=O)N(C)C)c(=O)oc2c1
InChIInChI=1S/C19H17NO4/c1-20(2)18(21)17-16(12-7-5-4-6-8-12)14-10-9-13(23-3)11-15(14)24-19(17)22/h4-11H,1-3H3
InChIKeyQMKOKPUXQXSYIH-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.17
Rot. Bonds3

About 7-methoxy-N,N-dimethyl-2-oxo-4-phenylchromene-3-carboxamide

7-methoxy-N,N-dimethyl-2-oxo-4-phenylchromene-3-carboxamide (PubChem CID 177461075) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 7-methoxy-N,N-dimethyl-2-oxo-4-phenylchromene-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N,N-dimethyl-2-oxo-4-phenylchromene-3-carboxamide
PubChem CID177461075
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name7-methoxy-N,N-dimethyl-2-oxo-4-phenylchromene-3-carboxamide
SMILESCOc1ccc2c(-c3ccccc3)c(C(=O)N(C)C)c(=O)oc2c1
InChIInChI=1S/C19H17NO4/c1-20(2)18(21)17-16(12-7-5-4-6-8-12)14-10-9-13(23-3)11-15(14)24-19(17)22/h4-11H,1-3H3
InChIKeyQMKOKPUXQXSYIH-UHFFFAOYSA-N
XLogP3.17
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.17
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

6-methoxy-2-methyl-3-phenyl-1-benzofuran
CID 3448866
methyl 7-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-oxo-4-phenylchromene-3-carboxylate
CID 101107810
2-bromo-6-methoxy-3-phenyl-1-benzofuran
CID 21436790
7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one
CID 5038923
[(E)-[2,2,2-trifluoro-1-(7-methoxy-2-oxo-4-phenylchromen-3-yl)ethylidene]amino] propane-1-sulfonate
CID 122472910
6-methoxy-N-methyl-3-phenyl-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride
CID 119551546
9-methoxy-12-phenylbenzo[a]xanthen-4-one
CID 70908154
7-methoxy-4-phenyl-3-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)chromen-2-one
CID 95401076
7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one
CID 746442
3-acetyl-4-phenylchromen-2-one
CID 56965161
3-(dihydroxyamino)-7-methoxy-2-oxochromen-4-olate
CID 163151689
7-methoxy-4-oxahexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1(14),2(11),5(10),6,8,12,15,17,19,21,23,25-dodecaen-3-one
CID 118617499

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N,N-dimethyl-2-oxo-4-phenylchromene-3-carboxamide?
The IUPAC name of 7-methoxy-N,N-dimethyl-2-oxo-4-phenylchromene-3-carboxamide (CID 177461075) is 7-methoxy-N,N-dimethyl-2-oxo-4-phenylchromene-3-carboxamide.
What is the SMILES notation for 7-methoxy-N,N-dimethyl-2-oxo-4-phenylchromene-3-carboxamide?
The canonical SMILES for 7-methoxy-N,N-dimethyl-2-oxo-4-phenylchromene-3-carboxamide is COc1ccc2c(-c3ccccc3)c(C(=O)N(C)C)c(=O)oc2c1.
What is the InChIKey of 7-methoxy-N,N-dimethyl-2-oxo-4-phenylchromene-3-carboxamide?
The InChIKey is QMKOKPUXQXSYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-20(2)18(21)17-16(12-7-5-4-6-8-12)14-10-9-13(23-3)11-15(14)24-19(17)22/h4-11H,1-3H3.
What are the key properties of 7-methoxy-N,N-dimethyl-2-oxo-4-phenylchromene-3-carboxamide?
7-methoxy-N,N-dimethyl-2-oxo-4-phenylchromene-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N,N-dimethyl-2-oxo-4-phenylchromene-3-carboxamide is sourced from PubChem (CID 177461075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).