N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide

C27H29N3O4 — CID 3191249

IUPACN-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide
SMILESCC(=O)Nc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C27H29N3O4/c1-19(31)28-22-14-16-23(17-15-22)30(27(33)24-13-8-18-34-24)25(20-9-4-2-5-10-20)26(32)29-21-11-6-3-7-12-21/h2,4-5,8-10,13-18,21,25H,3,6-7,11-12H2,1H3,(H,28,31)(H,29,32)
InChIKeyLEPAZOGMYBHTBI-UHFFFAOYSA-N
MW459.55 g/mol
LogP5.07
Rot. Bonds7

About N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide

N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide (PubChem CID 3191249) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide
PubChem CID3191249
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC NameN-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide
SMILESCC(=O)Nc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C27H29N3O4/c1-19(31)28-22-14-16-23(17-15-22)30(27(33)24-13-8-18-34-24)25(20-9-4-2-5-10-20)26(32)29-21-11-6-3-7-12-21/h2,4-5,8-10,13-18,21,25H,3,6-7,11-12H2,1H3,(H,28,31)(H,29,32)
InChIKeyLEPAZOGMYBHTBI-UHFFFAOYSA-N
XLogP5.07
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-phenylfuran-2-carboxamide
CID 3196554
N-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide
CID 1441687
N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 1469280
N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]pyrazine-2-carboxamide
CID 3184794
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 7145165
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 1441771
N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2-ethoxyphenyl)furan-2-carboxamide
CID 3197045
N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 3196936
N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 1469017
N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-phenylfuran-2-carboxamide
CID 3196884
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 7145162
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide
CID 1469205

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide (CID 3191249) is N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide is CC(=O)Nc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide?
The InChIKey is LEPAZOGMYBHTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-19(31)28-22-14-16-23(17-15-22)30(27(33)24-13-8-18-34-24)25(20-9-4-2-5-10-20)26(32)29-21-11-6-3-7-12-21/h2,4-5,8-10,13-18,21,25H,3,6-7,11-12H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide?
N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide is sourced from PubChem (CID 3191249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).