N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide

C20H20N2O3 — CID 694759

IUPACN-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C20H20N2O3/c1-3-22(4-2)16-11-9-15(10-12-16)21-19(23)17-13-14-7-5-6-8-18(14)25-20(17)24/h5-13H,3-4H2,1-2H3,(H,21,23)
InChIKeyDCLKSUJRLXQECF-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.89
Rot. Bonds5

About N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide

N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide (PubChem CID 694759) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
PubChem CID694759
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C20H20N2O3/c1-3-22(4-2)16-11-9-15(10-12-16)21-19(23)17-13-14-7-5-6-8-18(14)25-20(17)24/h5-13H,3-4H2,1-2H3,(H,21,23)
InChIKeyDCLKSUJRLXQECF-UHFFFAOYSA-N
XLogP3.89
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)-7-(diethylamino)-2-oxochromene-3-carboxamide
CID 5177672
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 110493370
7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 2968471
N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23658676
2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
N-(2-ethylpyrimidin-5-yl)-2-oxochromene-3-carboxamide
CID 136516823
N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 1442136
N-[2-(diethylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 86835457
7-(diethylamino)-N-(2-ethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1152097

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide (CID 694759) is N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide is CCN(CC)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide?
The InChIKey is DCLKSUJRLXQECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-22(4-2)16-11-9-15(10-12-16)21-19(23)17-13-14-7-5-6-8-18(14)25-20(17)24/h5-13H,3-4H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide?
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 694759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).