N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide

C27H30N2O6 — CID 3196870

IUPACN-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C27H30N2O6/c1-32-21-13-11-20(12-14-21)29(27(31)23-9-6-16-35-23)25(26(30)28-19-7-4-5-8-19)18-10-15-22(33-2)24(17-18)34-3/h6,9-17,19,25H,4-5,7-8H2,1-3H3,(H,28,30)
InChIKeyKAJKHHFYPDAXNJ-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.75
Rot. Bonds9

About N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide

N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide (PubChem CID 3196870) has the molecular formula C27H30N2O6 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
PubChem CID3196870
Molecular FormulaC27H30N2O6
Molecular Weight478.55 g/mol
Exact Mass478.21
IUPAC NameN-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C27H30N2O6/c1-32-21-13-11-20(12-14-21)29(27(31)23-9-6-16-35-23)25(26(30)28-19-7-4-5-8-19)18-10-15-22(33-2)24(17-18)34-3/h6,9-17,19,25H,4-5,7-8H2,1-3H3,(H,28,30)
InChIKeyKAJKHHFYPDAXNJ-UHFFFAOYSA-N
XLogP4.75
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 3196871
N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-phenylfuran-2-carboxamide
CID 3196884
N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 3191316
N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 3196936
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
CID 1441767
N-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 25311435
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 1441771
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 7145162
N-[(1R)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 25311473
N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)furan-2-carboxamide
CID 3196908
N-[(1S)-2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 40624258
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 1441882

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide (CID 3196870) is N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide is COc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide?
The InChIKey is KAJKHHFYPDAXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O6/c1-32-21-13-11-20(12-14-21)29(27(31)23-9-6-16-35-23)25(26(30)28-19-7-4-5-8-19)18-10-15-22(33-2)24(17-18)34-3/h6,9-17,19,25H,4-5,7-8H2,1-3H3,(H,28,30).
What are the key properties of N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide?
N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 3196870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).