4-oxo-N,N-di(propan-2-yl)chromene-2-carboxamide

C16H19NO3 — CID 15041163

IUPAC4-oxo-N,N-di(propan-2-yl)chromene-2-carboxamide
SMILESCC(C)N(C(=O)c1cc(=O)c2ccccc2o1)C(C)C
InChIInChI=1S/C16H19NO3/c1-10(2)17(11(3)4)16(19)15-9-13(18)12-7-5-6-8-14(12)20-15/h5-11H,1-4H3
InChIKeyIEUBYCJUKRVVFT-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.05
Rot. Bonds3

About 4-oxo-N,N-di(propan-2-yl)chromene-2-carboxamide

4-oxo-N,N-di(propan-2-yl)chromene-2-carboxamide (PubChem CID 15041163) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-oxo-N,N-di(propan-2-yl)chromene-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N,N-di(propan-2-yl)chromene-2-carboxamide
PubChem CID15041163
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name4-oxo-N,N-di(propan-2-yl)chromene-2-carboxamide
SMILESCC(C)N(C(=O)c1cc(=O)c2ccccc2o1)C(C)C
InChIInChI=1S/C16H19NO3/c1-10(2)17(11(3)4)16(19)15-9-13(18)12-7-5-6-8-14(12)20-15/h5-11H,1-4H3
InChIKeyIEUBYCJUKRVVFT-UHFFFAOYSA-N
XLogP3.05
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-4-oxochromene-2-carboxamide
CID 4056065
2-methylpropyl 4-oxochromene-2-carboxylate
CID 11837284
N-(azetidin-3-yl)-4-oxo-N-propylchromene-2-carboxamide
CID 66181389
N-cyclopropyl-4-oxo-N-piperidin-4-ylchromene-2-carboxamide
CID 167810912
2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid
CID 62675118
2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752
N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-oxochromene-2-carboxamide
CID 31979910
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115966240
2-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115969507
2-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]chromen-4-one
CID 96512747
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-4-oxochromene-2-carboxamide
CID 95167823

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N,N-di(propan-2-yl)chromene-2-carboxamide?
The IUPAC name of 4-oxo-N,N-di(propan-2-yl)chromene-2-carboxamide (CID 15041163) is 4-oxo-N,N-di(propan-2-yl)chromene-2-carboxamide.
What is the SMILES notation for 4-oxo-N,N-di(propan-2-yl)chromene-2-carboxamide?
The canonical SMILES for 4-oxo-N,N-di(propan-2-yl)chromene-2-carboxamide is CC(C)N(C(=O)c1cc(=O)c2ccccc2o1)C(C)C.
What is the InChIKey of 4-oxo-N,N-di(propan-2-yl)chromene-2-carboxamide?
The InChIKey is IEUBYCJUKRVVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10(2)17(11(3)4)16(19)15-9-13(18)12-7-5-6-8-14(12)20-15/h5-11H,1-4H3.
What are the key properties of 4-oxo-N,N-di(propan-2-yl)chromene-2-carboxamide?
4-oxo-N,N-di(propan-2-yl)chromene-2-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N,N-di(propan-2-yl)chromene-2-carboxamide is sourced from PubChem (CID 15041163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).