N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide

C23H29N3O3 — CID 24792687

IUPACN-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
SMILESCN(C)c1ccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CC2)cc1
InChIInChI=1S/C23H29N3O3/c1-25(2)18-11-9-16(10-12-18)21(22(27)24-17-6-3-4-7-17)26(19-13-14-19)23(28)20-8-5-15-29-20/h5,8-12,15,17,19,21H,3-4,6-7,13-14H2,1-2H3,(H,24,27)
InChIKeyZMUMOALLTUIXDP-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.75
Rot. Bonds7

About N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide

N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide (PubChem CID 24792687) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
PubChem CID24792687
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
SMILESCN(C)c1ccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CC2)cc1
InChIInChI=1S/C23H29N3O3/c1-25(2)18-11-9-16(10-12-18)21(22(27)24-17-6-3-4-7-17)26(19-13-14-19)23(28)20-8-5-15-29-20/h5,8-12,15,17,19,21H,3-4,6-7,13-14H2,1-2H3,(H,24,27)
InChIKeyZMUMOALLTUIXDP-UHFFFAOYSA-N
XLogP3.75
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
CID 1441726
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-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3196954
N-[(1R)-2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
CID 7145172
N-cyclohexyl-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3196888
N-benzyl-N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]furan-2-carboxamide
CID 3196449
N-(1,3-benzodioxol-5-yl)-N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]furan-2-carboxamide
CID 3196461
N-[(1S)-2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 40624258
N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 1469280
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 7145165
N-[(1S)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylfuran-2-carboxamide
CID 7224488

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide (CID 24792687) is N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide is CN(C)c1ccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CC2)cc1.
What is the InChIKey of N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide?
The InChIKey is ZMUMOALLTUIXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-25(2)18-11-9-16(10-12-18)21(22(27)24-17-6-3-4-7-17)26(19-13-14-19)23(28)20-8-5-15-29-20/h5,8-12,15,17,19,21H,3-4,6-7,13-14H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide?
N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide is sourced from PubChem (CID 24792687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).