N-(4-butylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide

C22H23NO4 — CID 5262639

IUPACN-(4-butylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide
SMILESCCCCc1ccc(NC(=O)c2cc3ccc(OCC)cc3oc2=O)cc1
InChIInChI=1S/C22H23NO4/c1-3-5-6-15-7-10-17(11-8-15)23-21(24)19-13-16-9-12-18(26-4-2)14-20(16)27-22(19)25/h7-14H,3-6H2,1-2H3,(H,23,24)
InChIKeyAFBAHORZQQEHMV-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.79
Rot. Bonds7

About N-(4-butylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide

N-(4-butylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide (PubChem CID 5262639) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(4-butylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide
PubChem CID5262639
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC NameN-(4-butylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide
SMILESCCCCc1ccc(NC(=O)c2cc3ccc(OCC)cc3oc2=O)cc1
InChIInChI=1S/C22H23NO4/c1-3-5-6-15-7-10-17(11-8-15)23-21(24)19-13-16-9-12-18(26-4-2)14-20(16)27-22(19)25/h7-14H,3-6H2,1-2H3,(H,23,24)
InChIKeyAFBAHORZQQEHMV-UHFFFAOYSA-N
XLogP4.79
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.79
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-(4-butylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263305
7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide
CID 5262694
7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide
CID 5262935
N-(4-butylphenyl)-6-methyl-2-oxochromene-3-carboxamide
CID 100794539
7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one
CID 139788868
N-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262710
7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide
CID 5262767
3-acetyl-7-butoxychromen-2-one
CID 166072598
7-[(4-ethenylphenyl)methoxy]-N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide
CID 101461531
N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262992
6-bromo-N-(4-ethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1363456
methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate
CID 5262911

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(4-butylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide (CID 5262639) is N-(4-butylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide is CCCCc1ccc(NC(=O)c2cc3ccc(OCC)cc3oc2=O)cc1.
What is the InChIKey of N-(4-butylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide?
The InChIKey is AFBAHORZQQEHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-3-5-6-15-7-10-17(11-8-15)23-21(24)19-13-16-9-12-18(26-4-2)14-20(16)27-22(19)25/h7-14H,3-6H2,1-2H3,(H,23,24).
What are the key properties of N-(4-butylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide?
N-(4-butylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 5262639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).