N-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide

C20H20N2O3 — CID 26782775

IUPACN-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C20H20N2O3/c1-13(2)19(23)21-16-7-9-17(10-8-16)22-20(24)15-11-14-5-3-4-6-18(14)25-12-15/h3-11,13H,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyIUAYYFWKGYHUOG-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.70
Rot. Bonds4

About N-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide

N-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide (PubChem CID 26782775) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide
PubChem CID26782775
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C20H20N2O3/c1-13(2)19(23)21-16-7-9-17(10-8-16)22-20(24)15-11-14-5-3-4-6-18(14)25-12-15/h3-11,13H,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyIUAYYFWKGYHUOG-UHFFFAOYSA-N
XLogP3.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetamidophenyl)-2H-chromene-3-carboxamide
CID 7465016
N-(4-acetylphenyl)-2H-chromene-3-carboxamide
CID 9042646
N-(3,4-difluorophenyl)-2H-chromene-3-carboxamide
CID 26736929
N-(2-anilino-2-oxo-1-phenylethyl)-2H-chromene-3-carboxamide
CID 55779225
N-methyl-2H-chromene-3-carboxamide
CID 13029267
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2H-chromene-3-carboxylate
CID 8744452
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8744007
3-(2H-chromene-3-carbonylamino)butanoic acid
CID 119220849
N-(2-fluorophenyl)-2H-chromene-3-carboxamide
CID 7464960
N-(2,3-dimethylphenyl)-2H-chromene-3-carboxamide
CID 9042933
(2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid
CID 124689247
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745271

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide (CID 26782775) is N-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide is CC(C)C(=O)Nc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1.
What is the InChIKey of N-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide?
The InChIKey is IUAYYFWKGYHUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13(2)19(23)21-16-7-9-17(10-8-16)22-20(24)15-11-14-5-3-4-6-18(14)25-12-15/h3-11,13H,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide?
N-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 26782775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).