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

C30H30N2O4 — CID 17117640

IUPACN-[4-[[2-(4-cyclohexylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C30H30N2O4/c1-20-17-24(13-16-26(20)32-30(34)28-18-23-9-5-6-10-27(23)36-28)31-29(33)19-35-25-14-11-22(12-15-25)21-7-3-2-4-8-21/h5-6,9-18,21H,2-4,7-8,19H2,1H3,(H,31,33)(H,32,34)
InChIKeySHMINUFEOUAULC-UHFFFAOYSA-N
MW482.58 g/mol
LogP7.06
Rot. Bonds7

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

N-[4-[[2-(4-cyclohexylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide (PubChem CID 17117640) has the molecular formula C30H30N2O4 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-[4-[[2-(4-cyclohexylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(4-cyclohexylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
PubChem CID17117640
Molecular FormulaC30H30N2O4
Molecular Weight482.58 g/mol
Exact Mass482.22
IUPAC NameN-[4-[[2-(4-cyclohexylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C30H30N2O4/c1-20-17-24(13-16-26(20)32-30(34)28-18-23-9-5-6-10-27(23)36-28)31-29(33)19-35-25-14-11-22(12-15-25)21-7-3-2-4-8-21/h5-6,9-18,21H,2-4,7-8,19H2,1H3,(H,31,33)(H,32,34)
InChIKeySHMINUFEOUAULC-UHFFFAOYSA-N
XLogP7.06
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[2-(4-cyclohexylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-methyl-4-[(2-phenoxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 3278183
N-[4-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21213374
N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 1086001
2-(4-cyclohexylphenoxy)-N-naphthalen-2-ylacetamide
CID 21234083
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-(phenoxymethyl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 3374467
2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide
CID 28677469
2-(4-cyclohexylphenoxy)-N-(4-iodo-2,5-dimethylphenyl)acetamide
CID 23095771
N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 2908045
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21215394

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-cyclohexylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[[2-(4-cyclohexylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide (CID 17117640) is N-[4-[[2-(4-cyclohexylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(4-cyclohexylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[[2-(4-cyclohexylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide is Cc1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)ccc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[4-[[2-(4-cyclohexylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide?
The InChIKey is SHMINUFEOUAULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O4/c1-20-17-24(13-16-26(20)32-30(34)28-18-23-9-5-6-10-27(23)36-28)31-29(33)19-35-25-14-11-22(12-15-25)21-7-3-2-4-8-21/h5-6,9-18,21H,2-4,7-8,19H2,1H3,(H,31,33)(H,32,34).
What are the key properties of N-[4-[[2-(4-cyclohexylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide?
N-[4-[[2-(4-cyclohexylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 7.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-cyclohexylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17117640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).