N-[4-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide

C28H28N2O4 — CID 21213374

IUPACN-[4-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C28H28N2O4/c1-18-15-21(29-26(31)17-33-22-12-9-20(10-13-22)28(2,3)4)11-14-23(18)30-27(32)25-16-19-7-5-6-8-24(19)34-25/h5-16H,17H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyVUROPYJORMEFDN-UHFFFAOYSA-N
MW456.54 g/mol
LogP6.31
Rot. Bonds6

About N-[4-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide

N-[4-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide (PubChem CID 21213374) has the molecular formula C28H28N2O4 and a molecular weight of 456.54 g/mol. Its IUPAC name is N-[4-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
PubChem CID21213374
Molecular FormulaC28H28N2O4
Molecular Weight456.54 g/mol
Exact Mass456.20
IUPAC NameN-[4-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C28H28N2O4/c1-18-15-21(29-26(31)17-33-22-12-9-20(10-13-22)28(2,3)4)11-14-23(18)30-27(32)25-16-19-7-5-6-8-24(19)34-25/h5-16H,17H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyVUROPYJORMEFDN-UHFFFAOYSA-N
XLogP6.31
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.54
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-4-[(2-phenoxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 3278183
N-[4-[[2-(4-cyclohexylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 17117640
N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 1086001
N-[4-(butanoylamino)-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 3347136
N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 3576471
N-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide
CID 91677835
N-[2-methyl-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117632
N-[2-methyl-4-[[3-(phenoxymethyl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 3374467
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21215394
N-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21215420
N-[4-[(3-methoxynaphthalene-2-carbonyl)amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21213329
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-2-(4-tert-butylphenoxy)acetamide
CID 6262544

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide (CID 21213374) is N-[4-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide is Cc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[4-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide?
The InChIKey is VUROPYJORMEFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4/c1-18-15-21(29-26(31)17-33-22-12-9-20(10-13-22)28(2,3)4)11-14-23(18)30-27(32)25-16-19-7-5-6-8-24(19)34-25/h5-16H,17H2,1-4H3,(H,29,31)(H,30,32).
What are the key properties of N-[4-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide?
N-[4-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide has a molecular weight of 456.54 g/mol, XLogP of 6.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 21213374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).