N-benzyl-N-tert-butyl-4-oxochromene-3-carboxamide

C21H21NO3 — CID 42778105

IUPACN-benzyl-N-tert-butyl-4-oxochromene-3-carboxamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)c1coc2ccccc2c1=O
InChIInChI=1S/C21H21NO3/c1-21(2,3)22(13-15-9-5-4-6-10-15)20(24)17-14-25-18-12-8-7-11-16(18)19(17)23/h4-12,14H,13H2,1-3H3
InChIKeyYQYSBMPVDZHBKG-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.23
Rot. Bonds3

About N-benzyl-N-tert-butyl-4-oxochromene-3-carboxamide

N-benzyl-N-tert-butyl-4-oxochromene-3-carboxamide (PubChem CID 42778105) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-benzyl-N-tert-butyl-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-tert-butyl-4-oxochromene-3-carboxamide
PubChem CID42778105
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC NameN-benzyl-N-tert-butyl-4-oxochromene-3-carboxamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)c1coc2ccccc2c1=O
InChIInChI=1S/C21H21NO3/c1-21(2,3)22(13-15-9-5-4-6-10-15)20(24)17-14-25-18-12-8-7-11-16(18)19(17)23/h4-12,14H,13H2,1-3H3
InChIKeyYQYSBMPVDZHBKG-UHFFFAOYSA-N
XLogP4.23
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-tert-butylnaphthalene-1-carboxamide
CID 10914114
N-benzyl-2-bromo-N-tert-butylbenzamide
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3-(4-tert-butylbenzoyl)chromen-4-one
CID 775972
N-benzyl-5-bromo-N-tert-butyl-2-chlorobenzamide
CID 2954043
4-oxo-N-[(2-phenylphenyl)methyl]-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
CID 42786030
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-oxochromene-3-carboxamide
CID 9117714
N-(1H-imidazol-5-ylmethyl)-4-oxo-N-[(4-phenylphenyl)methyl]chromene-3-carboxamide
CID 42786027
2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide
CID 110851126
methyl 4-[[(4-oxochromene-3-carbonyl)amino]methyl]benzoate
CID 2406660
N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide
CID 15830435
N-benzyl-N-tert-butyl-2-naphthalen-1-ylacetamide
CID 2203262
2-amino-1-(1-benzofuran-3-yl)-2-methylpropan-1-one
CID 116915418

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-tert-butyl-4-oxochromene-3-carboxamide?
The IUPAC name of N-benzyl-N-tert-butyl-4-oxochromene-3-carboxamide (CID 42778105) is N-benzyl-N-tert-butyl-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-benzyl-N-tert-butyl-4-oxochromene-3-carboxamide?
The canonical SMILES for N-benzyl-N-tert-butyl-4-oxochromene-3-carboxamide is CC(C)(C)N(Cc1ccccc1)C(=O)c1coc2ccccc2c1=O.
What is the InChIKey of N-benzyl-N-tert-butyl-4-oxochromene-3-carboxamide?
The InChIKey is YQYSBMPVDZHBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-21(2,3)22(13-15-9-5-4-6-10-15)20(24)17-14-25-18-12-8-7-11-16(18)19(17)23/h4-12,14H,13H2,1-3H3.
What are the key properties of N-benzyl-N-tert-butyl-4-oxochromene-3-carboxamide?
N-benzyl-N-tert-butyl-4-oxochromene-3-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-tert-butyl-4-oxochromene-3-carboxamide is sourced from PubChem (CID 42778105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).