N-[4-(tert-butylcarbamoyl)phenyl]-4-oxochromene-2-carboxamide

C21H20N2O4 — CID 38253448

IUPACN-[4-(tert-butylcarbamoyl)phenyl]-4-oxochromene-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C21H20N2O4/c1-21(2,3)23-19(25)13-8-10-14(11-9-13)22-20(26)18-12-16(24)15-6-4-5-7-17(15)27-18/h4-12H,1-3H3,(H,22,26)(H,23,25)
InChIKeyBLOVGFYMPKMHSF-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.57
Rot. Bonds3

About N-[4-(tert-butylcarbamoyl)phenyl]-4-oxochromene-2-carboxamide

N-[4-(tert-butylcarbamoyl)phenyl]-4-oxochromene-2-carboxamide (PubChem CID 38253448) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[4-(tert-butylcarbamoyl)phenyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(tert-butylcarbamoyl)phenyl]-4-oxochromene-2-carboxamide
PubChem CID38253448
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[4-(tert-butylcarbamoyl)phenyl]-4-oxochromene-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C21H20N2O4/c1-21(2,3)23-19(25)13-8-10-14(11-9-13)22-20(26)18-12-16(24)15-6-4-5-7-17(15)27-18/h4-12H,1-3H3,(H,22,26)(H,23,25)
InChIKeyBLOVGFYMPKMHSF-UHFFFAOYSA-N
XLogP3.57
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636
N-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide
CID 31855114
4-methyl-3-[(4-oxochromene-2-carbonyl)amino]benzoic acid
CID 3400786
4-oxo-N-[4-(tetrazol-1-yl)phenyl]chromene-2-carboxamide
CID 9111704
(4-benzamidophenyl) 4-oxochromene-2-carboxylate
CID 34736141
N-(4-tert-butylphenyl)-6-chloro-4-oxochromene-2-carboxamide
CID 9203867
N-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide
CID 103789742
N-[6-(dimethylamino)-3-pyridinyl]-4-oxochromene-2-carboxamide
CID 17460362
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-oxochromene-2-carboxamide
CID 32938140
7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 38950605
N-(4-cyclopentylsulfonylphenyl)-4-oxochromene-2-carboxamide
CID 47026428
N-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide
CID 9097785

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylcarbamoyl)phenyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[4-(tert-butylcarbamoyl)phenyl]-4-oxochromene-2-carboxamide (CID 38253448) is N-[4-(tert-butylcarbamoyl)phenyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[4-(tert-butylcarbamoyl)phenyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[4-(tert-butylcarbamoyl)phenyl]-4-oxochromene-2-carboxamide is CC(C)(C)NC(=O)c1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1.
What is the InChIKey of N-[4-(tert-butylcarbamoyl)phenyl]-4-oxochromene-2-carboxamide?
The InChIKey is BLOVGFYMPKMHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-21(2,3)23-19(25)13-8-10-14(11-9-13)22-20(26)18-12-16(24)15-6-4-5-7-17(15)27-18/h4-12H,1-3H3,(H,22,26)(H,23,25).
What are the key properties of N-[4-(tert-butylcarbamoyl)phenyl]-4-oxochromene-2-carboxamide?
N-[4-(tert-butylcarbamoyl)phenyl]-4-oxochromene-2-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylcarbamoyl)phenyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 38253448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).