N-(2-methoxy-5-methylphenyl)-2-oxo-7-propoxychromene-3-carboxamide

C21H21NO5 — CID 5263313

IUPACN-(2-methoxy-5-methylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
SMILESCCCOc1ccc2cc(C(=O)Nc3cc(C)ccc3OC)c(=O)oc2c1
InChIInChI=1S/C21H21NO5/c1-4-9-26-15-7-6-14-11-16(21(24)27-19(14)12-15)20(23)22-17-10-13(2)5-8-18(17)25-3/h5-8,10-12H,4,9H2,1-3H3,(H,22,23)
InChIKeyDNICQERHWFNOJB-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.15
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-2-oxo-7-propoxychromene-3-carboxamide

N-(2-methoxy-5-methylphenyl)-2-oxo-7-propoxychromene-3-carboxamide (PubChem CID 5263313) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-oxo-7-propoxychromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
PubChem CID5263313
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
SMILESCCCOc1ccc2cc(C(=O)Nc3cc(C)ccc3OC)c(=O)oc2c1
InChIInChI=1S/C21H21NO5/c1-4-9-26-15-7-6-14-11-16(21(24)27-19(14)12-15)20(23)22-17-10-13(2)5-8-18(17)25-3/h5-8,10-12H,4,9H2,1-3H3,(H,22,23)
InChIKeyDNICQERHWFNOJB-UHFFFAOYSA-N
XLogP4.15
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263540
N-(2,4-dimethoxyphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263537
N-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262710
N-(2,5-dimethoxyphenyl)-6-methyl-2-oxochromene-3-carboxamide
CID 100794447
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
2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 110493370
N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262992
3-acetyl-7-butoxychromen-2-one
CID 166072598

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-oxo-7-propoxychromene-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-oxo-7-propoxychromene-3-carboxamide (CID 5263313) is N-(2-methoxy-5-methylphenyl)-2-oxo-7-propoxychromene-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-oxo-7-propoxychromene-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-oxo-7-propoxychromene-3-carboxamide is CCCOc1ccc2cc(C(=O)Nc3cc(C)ccc3OC)c(=O)oc2c1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-oxo-7-propoxychromene-3-carboxamide?
The InChIKey is DNICQERHWFNOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-4-9-26-15-7-6-14-11-16(21(24)27-19(14)12-15)20(23)22-17-10-13(2)5-8-18(17)25-3/h5-8,10-12H,4,9H2,1-3H3,(H,22,23).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-oxo-7-propoxychromene-3-carboxamide?
N-(2-methoxy-5-methylphenyl)-2-oxo-7-propoxychromene-3-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-oxo-7-propoxychromene-3-carboxamide is sourced from PubChem (CID 5263313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).