N-(2,4-dimethoxyphenyl)-2-oxo-7-propoxychromene-3-carboxamide

C21H21NO6 — CID 5263537

IUPACN-(2,4-dimethoxyphenyl)-2-oxo-7-propoxychromene-3-carboxamide
SMILESCCCOc1ccc2cc(C(=O)Nc3ccc(OC)cc3OC)c(=O)oc2c1
InChIInChI=1S/C21H21NO6/c1-4-9-27-15-6-5-13-10-16(21(24)28-18(13)12-15)20(23)22-17-8-7-14(25-2)11-19(17)26-3/h5-8,10-12H,4,9H2,1-3H3,(H,22,23)
InChIKeyZYYUSHNIEZKESH-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.85
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-2-oxo-7-propoxychromene-3-carboxamide

N-(2,4-dimethoxyphenyl)-2-oxo-7-propoxychromene-3-carboxamide (PubChem CID 5263537) has the molecular formula C21H21NO6 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-oxo-7-propoxychromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-oxo-7-propoxychromene-3-carboxamide
PubChem CID5263537
Molecular FormulaC21H21NO6
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC NameN-(2,4-dimethoxyphenyl)-2-oxo-7-propoxychromene-3-carboxamide
SMILESCCCOc1ccc2cc(C(=O)Nc3ccc(OC)cc3OC)c(=O)oc2c1
InChIInChI=1S/C21H21NO6/c1-4-9-27-15-6-5-13-10-16(21(24)28-18(13)12-15)20(23)22-17-8-7-14(25-2)11-19(17)26-3/h5-8,10-12H,4,9H2,1-3H3,(H,22,23)
InChIKeyZYYUSHNIEZKESH-UHFFFAOYSA-N
XLogP3.85
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263313
N-(2,4-dimethylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263540
N-tert-butyl-2-oxo-7-propoxychromene-3-carboxamide
CID 5263306
N-(4-butylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263305
N-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263934
methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate
CID 5262911
N'-(2-oxo-7-propoxychromene-3-carbonyl)pyridine-4-carbohydrazide
CID 5263838
N-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262710
2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 110493370
N-(3-chloro-2-methylphenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 5262140
6,8-dichloro-N-(2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1264879
N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262992

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-oxo-7-propoxychromene-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-oxo-7-propoxychromene-3-carboxamide (CID 5263537) is N-(2,4-dimethoxyphenyl)-2-oxo-7-propoxychromene-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-oxo-7-propoxychromene-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-oxo-7-propoxychromene-3-carboxamide is CCCOc1ccc2cc(C(=O)Nc3ccc(OC)cc3OC)c(=O)oc2c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-oxo-7-propoxychromene-3-carboxamide?
The InChIKey is ZYYUSHNIEZKESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6/c1-4-9-27-15-6-5-13-10-16(21(24)28-18(13)12-15)20(23)22-17-8-7-14(25-2)11-19(17)26-3/h5-8,10-12H,4,9H2,1-3H3,(H,22,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-oxo-7-propoxychromene-3-carboxamide?
N-(2,4-dimethoxyphenyl)-2-oxo-7-propoxychromene-3-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-oxo-7-propoxychromene-3-carboxamide is sourced from PubChem (CID 5263537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).