N-[(2S)-1-(cyclohexylamino)-1-oxohexan-2-yl]-N-phenylfuran-2-carboxamide

C23H30N2O3 — CID 138983886

IUPACN-[(2S)-1-(cyclohexylamino)-1-oxohexan-2-yl]-N-phenylfuran-2-carboxamide
SMILESCCCC[C@@H](C(=O)NC1CCCCC1)N(C(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C23H30N2O3/c1-2-3-15-20(22(26)24-18-11-6-4-7-12-18)25(19-13-8-5-9-14-19)23(27)21-16-10-17-28-21/h5,8-10,13-14,16-18,20H,2-4,6-7,11-12,15H2,1H3,(H,24,26)/t20-/m0/s1
InChIKeyRXXAQPBNQPJZLK-FQEVSTJZSA-N
MW382.50 g/mol
LogP4.93
Rot. Bonds8

About N-[(2S)-1-(cyclohexylamino)-1-oxohexan-2-yl]-N-phenylfuran-2-carboxamide

N-[(2S)-1-(cyclohexylamino)-1-oxohexan-2-yl]-N-phenylfuran-2-carboxamide (PubChem CID 138983886) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[(2S)-1-(cyclohexylamino)-1-oxohexan-2-yl]-N-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(cyclohexylamino)-1-oxohexan-2-yl]-N-phenylfuran-2-carboxamide
PubChem CID138983886
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[(2S)-1-(cyclohexylamino)-1-oxohexan-2-yl]-N-phenylfuran-2-carboxamide
SMILESCCCC[C@@H](C(=O)NC1CCCCC1)N(C(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C23H30N2O3/c1-2-3-15-20(22(26)24-18-11-6-4-7-12-18)25(19-13-8-5-9-14-19)23(27)21-16-10-17-28-21/h5,8-10,13-14,16-18,20H,2-4,6-7,11-12,15H2,1H3,(H,24,26)/t20-/m0/s1
InChIKeyRXXAQPBNQPJZLK-FQEVSTJZSA-N
XLogP4.93
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide
CID 1469205
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide
CID 1469204
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-phenylfuran-2-carboxamide
CID 3196554
N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide
CID 3191249
N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-phenylfuran-2-carboxamide
CID 3196884
N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 1469017
N-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide
CID 1441687
N-[(1R)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 7145116
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 7145165
N-[2-(N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]anilino)-2-oxoethyl]furan-2-carboxamide
CID 3211389
N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2-ethoxyphenyl)furan-2-carboxamide
CID 3197045
N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 1469280

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cyclohexylamino)-1-oxohexan-2-yl]-N-phenylfuran-2-carboxamide?
The IUPAC name of N-[(2S)-1-(cyclohexylamino)-1-oxohexan-2-yl]-N-phenylfuran-2-carboxamide (CID 138983886) is N-[(2S)-1-(cyclohexylamino)-1-oxohexan-2-yl]-N-phenylfuran-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(cyclohexylamino)-1-oxohexan-2-yl]-N-phenylfuran-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(cyclohexylamino)-1-oxohexan-2-yl]-N-phenylfuran-2-carboxamide is CCCC[C@@H](C(=O)NC1CCCCC1)N(C(=O)c1ccco1)c1ccccc1.
What is the InChIKey of N-[(2S)-1-(cyclohexylamino)-1-oxohexan-2-yl]-N-phenylfuran-2-carboxamide?
The InChIKey is RXXAQPBNQPJZLK-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-2-3-15-20(22(26)24-18-11-6-4-7-12-18)25(19-13-8-5-9-14-19)23(27)21-16-10-17-28-21/h5,8-10,13-14,16-18,20H,2-4,6-7,11-12,15H2,1H3,(H,24,26)/t20-/m0/s1.
What are the key properties of N-[(2S)-1-(cyclohexylamino)-1-oxohexan-2-yl]-N-phenylfuran-2-carboxamide?
N-[(2S)-1-(cyclohexylamino)-1-oxohexan-2-yl]-N-phenylfuran-2-carboxamide has a molecular weight of 382.50 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(cyclohexylamino)-1-oxohexan-2-yl]-N-phenylfuran-2-carboxamide is sourced from PubChem (CID 138983886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).