N-[(1R)-2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide

C23H28N2O4 — CID 7145172

IUPACN-[(1R)-2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
SMILESCCOc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CC2)cc1
InChIInChI=1S/C23H28N2O4/c1-2-28-19-13-9-16(10-14-19)21(22(26)24-17-6-3-4-7-17)25(18-11-12-18)23(27)20-8-5-15-29-20/h5,8-10,13-15,17-18,21H,2-4,6-7,11-12H2,1H3,(H,24,26)/t21-/m1/s1
InChIKeyPNASPAJLVOTDOK-OAQYLSRUSA-N
MW396.49 g/mol
LogP4.08
Rot. Bonds8

About N-[(1R)-2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide

N-[(1R)-2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide (PubChem CID 7145172) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[(1R)-2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
PubChem CID7145172
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[(1R)-2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
SMILESCCOc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CC2)cc1
InChIInChI=1S/C23H28N2O4/c1-2-28-19-13-9-16(10-14-19)21(22(26)24-17-6-3-4-7-17)25(18-11-12-18)23(27)20-8-5-15-29-20/h5,8-10,13-15,17-18,21H,2-4,6-7,11-12H2,1H3,(H,24,26)/t21-/m1/s1
InChIKeyPNASPAJLVOTDOK-OAQYLSRUSA-N
XLogP4.08
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-ethylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3196954
N-cyclohexyl-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3196888
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-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-(furan-2-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 7145116
N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 25311867
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3196561
N-(1,3-benzodioxol-5-ylmethyl)-N-[(1R)-2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 1469122
N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 3196871
N-[2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 3191414

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide?
The IUPAC name of N-[(1R)-2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide (CID 7145172) is N-[(1R)-2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide?
The canonical SMILES for N-[(1R)-2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide is CCOc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CC2)cc1.
What is the InChIKey of N-[(1R)-2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide?
The InChIKey is PNASPAJLVOTDOK-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-2-28-19-13-9-16(10-14-19)21(22(26)24-17-6-3-4-7-17)25(18-11-12-18)23(27)20-8-5-15-29-20/h5,8-10,13-15,17-18,21H,2-4,6-7,11-12H2,1H3,(H,24,26)/t21-/m1/s1.
What are the key properties of N-[(1R)-2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide?
N-[(1R)-2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide is sourced from PubChem (CID 7145172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).