N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]furan-2-carboxamide

C25H32N2O3 — CID 3196954

IUPACN-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]furan-2-carboxamide
SMILESCCc1ccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CCCC2)cc1
InChIInChI=1S/C25H32N2O3/c1-2-18-13-15-19(16-14-18)23(24(28)26-20-8-3-4-9-20)27(21-10-5-6-11-21)25(29)22-12-7-17-30-22/h7,12-17,20-21,23H,2-6,8-11H2,1H3,(H,26,28)
InChIKeyAFWUQTPGJDEQBG-UHFFFAOYSA-N
MW408.54 g/mol
LogP5.03
Rot. Bonds7

About N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]furan-2-carboxamide

N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]furan-2-carboxamide (PubChem CID 3196954) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]furan-2-carboxamide
PubChem CID3196954
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC NameN-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]furan-2-carboxamide
SMILESCCc1ccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CCCC2)cc1
InChIInChI=1S/C25H32N2O3/c1-2-18-13-15-19(16-14-18)23(24(28)26-20-8-3-4-9-20)27(21-10-5-6-11-21)25(29)22-12-7-17-30-22/h7,12-17,20-21,23H,2-6,8-11H2,1H3,(H,26,28)
InChIKeyAFWUQTPGJDEQBG-UHFFFAOYSA-N
XLogP5.03
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
CID 7145221
N-[(1S)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopentylfuran-2-carboxamide
CID 7130291
N-[(1R)-2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
CID 7145172
N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
CID 24792687
N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
CID 1441726
N-cyclohexyl-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3196888
N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 3196960
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 7145165
N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]furan-2-carboxamide
CID 3196958
N-[2-[[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211562
N-benzyl-N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]furan-2-carboxamide
CID 3196449
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 1441797

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]furan-2-carboxamide (CID 3196954) is N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]furan-2-carboxamide is CCc1ccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is AFWUQTPGJDEQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-2-18-13-15-19(16-14-18)23(24(28)26-20-8-3-4-9-20)27(21-10-5-6-11-21)25(29)22-12-7-17-30-22/h7,12-17,20-21,23H,2-6,8-11H2,1H3,(H,26,28).
What are the key properties of N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]furan-2-carboxamide?
N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 408.54 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3196954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).