N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

C21H21NO3 — CID 8779941

IUPACN-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)NC(C)(C)C)cccc2c1=O
InChIInChI=1S/C21H21NO3/c1-13-17(23)15-11-8-12-16(20(24)22-21(2,3)4)19(15)25-18(13)14-9-6-5-7-10-14/h5-12H,1-4H3,(H,22,24)
InChIKeyHRWDLPPVYNAPID-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.30
Rot. Bonds2

About N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (PubChem CID 8779941) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
PubChem CID8779941
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC NameN-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)NC(C)(C)C)cccc2c1=O
InChIInChI=1S/C21H21NO3/c1-13-17(23)15-11-8-12-16(20(24)22-21(2,3)4)19(15)25-18(13)14-9-6-5-7-10-14/h5-12H,1-4H3,(H,22,24)
InChIKeyHRWDLPPVYNAPID-UHFFFAOYSA-N
XLogP4.30
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 52706882
2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid
CID 166207623
N-(5-fluoro-2-methylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 9097604
N-(4-carbamoylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8884598
3-methyl-N-(2-methylcyclobutyl)-4-oxo-2-phenylchromene-8-carboxamide
CID 166200068
N-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 166187970
3-methyl-N-(3-methyl-2-pyridinyl)-4-oxo-2-phenylchromene-8-carboxamide
CID 42537286
3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide
CID 125433000
8-(azepane-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 18108125
2-methoxyethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 46642244
3-methyl-N-(2-methylcyclopentyl)-4-oxo-2-phenylchromene-8-carboxamide
CID 166196179
N-tert-butyl-2-[4-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 29479515

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The IUPAC name of N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (CID 8779941) is N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.
What is the SMILES notation for N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The canonical SMILES for N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is Cc1c(-c2ccccc2)oc2c(C(=O)NC(C)(C)C)cccc2c1=O.
What is the InChIKey of N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The InChIKey is HRWDLPPVYNAPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-13-17(23)15-11-8-12-16(20(24)22-21(2,3)4)19(15)25-18(13)14-9-6-5-7-10-14/h5-12H,1-4H3,(H,22,24).
What are the key properties of N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is sourced from PubChem (CID 8779941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).