N-(4-ethylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide

C20H21NO3 — CID 108805240

IUPACN-(4-ethylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc3c(c2)C(=O)CC(C)(C)O3)cc1
InChIInChI=1S/C20H21NO3/c1-4-13-5-8-15(9-6-13)21-19(23)14-7-10-18-16(11-14)17(22)12-20(2,3)24-18/h5-11H,4,12H2,1-3H3,(H,21,23)
InChIKeyNZNIKGIFTBJOSN-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.25
Rot. Bonds3

About N-(4-ethylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide

N-(4-ethylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide (PubChem CID 108805240) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
PubChem CID108805240
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC NameN-(4-ethylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc3c(c2)C(=O)CC(C)(C)O3)cc1
InChIInChI=1S/C20H21NO3/c1-4-13-5-8-15(9-6-13)21-19(23)14-7-10-18-16(11-14)17(22)12-20(2,3)24-18/h5-11H,4,12H2,1-3H3,(H,21,23)
InChIKeyNZNIKGIFTBJOSN-UHFFFAOYSA-N
XLogP4.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-iodophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793309
N-(4-ethoxyphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793188
N-(4-cyanophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793202
3-[[4-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]benzoyl]amino]propanoic acid
CID 108805234
N-[4-(acetylsulfamoyl)phenyl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793317
N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805246
4-[[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]methyl]benzoic acid
CID 108793216
2,2-dimethyl-4-oxo-N-pyridin-3-yl-3H-chromene-6-carboxamide
CID 108793239
2,2-dimethyl-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-3H-chromene-6-carboxamide
CID 108727448
4-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxybenzoic acid
CID 108744223
N-[2-(diethylamino)ethyl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793220
2,2-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxo-3H-chromene-6-carboxamide
CID 108793237

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide (CID 108805240) is N-(4-ethylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide is CCc1ccc(NC(=O)c2ccc3c(c2)C(=O)CC(C)(C)O3)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The InChIKey is NZNIKGIFTBJOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-4-13-5-8-15(9-6-13)21-19(23)14-7-10-18-16(11-14)17(22)12-20(2,3)24-18/h5-11H,4,12H2,1-3H3,(H,21,23).
What are the key properties of N-(4-ethylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
N-(4-ethylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide is sourced from PubChem (CID 108805240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).