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

C21H21NO4 — CID 5263540

IUPACN-(2,4-dimethylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
SMILESCCCOc1ccc2cc(C(=O)Nc3ccc(C)cc3C)c(=O)oc2c1
InChIInChI=1S/C21H21NO4/c1-4-9-25-16-7-6-15-11-17(21(24)26-19(15)12-16)20(23)22-18-8-5-13(2)10-14(18)3/h5-8,10-12H,4,9H2,1-3H3,(H,22,23)
InChIKeyZVXYSTHIFCKHMS-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.45
Rot. Bonds5

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

N-(2,4-dimethylphenyl)-2-oxo-7-propoxychromene-3-carboxamide (PubChem CID 5263540) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-oxo-7-propoxychromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
PubChem CID5263540
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC NameN-(2,4-dimethylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
SMILESCCCOc1ccc2cc(C(=O)Nc3ccc(C)cc3C)c(=O)oc2c1
InChIInChI=1S/C21H21NO4/c1-4-9-25-16-7-6-15-11-17(21(24)26-19(15)12-16)20(23)22-18-8-5-13(2)10-14(18)3/h5-8,10-12H,4,9H2,1-3H3,(H,22,23)
InChIKeyZVXYSTHIFCKHMS-UHFFFAOYSA-N
XLogP4.45
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.45
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

N-(2-methoxy-5-methylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263313
N-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262710
N-(2,4-dimethoxyphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263537
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
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
7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 2968471
N-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263602

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-oxo-7-propoxychromene-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-oxo-7-propoxychromene-3-carboxamide (CID 5263540) is N-(2,4-dimethylphenyl)-2-oxo-7-propoxychromene-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-oxo-7-propoxychromene-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-oxo-7-propoxychromene-3-carboxamide is CCCOc1ccc2cc(C(=O)Nc3ccc(C)cc3C)c(=O)oc2c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-oxo-7-propoxychromene-3-carboxamide?
The InChIKey is ZVXYSTHIFCKHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-4-9-25-16-7-6-15-11-17(21(24)26-19(15)12-16)20(23)22-18-8-5-13(2)10-14(18)3/h5-8,10-12H,4,9H2,1-3H3,(H,22,23).
What are the key properties of N-(2,4-dimethylphenyl)-2-oxo-7-propoxychromene-3-carboxamide?
N-(2,4-dimethylphenyl)-2-oxo-7-propoxychromene-3-carboxamide has a molecular weight of 351.40 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-oxo-7-propoxychromene-3-carboxamide is sourced from PubChem (CID 5263540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).