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

C28H32N2O6 — CID 3196871

IUPACN-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
SMILESCCOc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C28H32N2O6/c1-4-35-22-14-12-21(13-15-22)30(28(32)24-10-7-17-36-24)26(27(31)29-20-8-5-6-9-20)19-11-16-23(33-2)25(18-19)34-3/h7,10-18,20,26H,4-6,8-9H2,1-3H3,(H,29,31)
InChIKeyOHMYSWTZBBEMTQ-UHFFFAOYSA-N
MW492.57 g/mol
LogP5.14
Rot. Bonds10

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

N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide (PubChem CID 3196871) has the molecular formula C28H32N2O6 and a molecular weight of 492.57 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
PubChem CID3196871
Molecular FormulaC28H32N2O6
Molecular Weight492.57 g/mol
Exact Mass492.23
IUPAC NameN-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
SMILESCCOc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C28H32N2O6/c1-4-35-22-14-12-21(13-15-22)30(28(32)24-10-7-17-36-24)26(27(31)29-20-8-5-6-9-20)19-11-16-23(33-2)25(18-19)34-3/h7,10-18,20,26H,4-6,8-9H2,1-3H3,(H,29,31)
InChIKeyOHMYSWTZBBEMTQ-UHFFFAOYSA-N
XLogP5.14
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.57
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 3196870
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-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 25311435
N-[(1R)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 7145116
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
CID 1441767
N-[2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 3191414
N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 3196936
N-[(1R)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 25311473
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-(4-ethoxyphenyl)-2-oxoethyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 25311867

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide (CID 3196871) is N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide is CCOc1ccc(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-ethoxyphenyl)furan-2-carboxamide?
The InChIKey is OHMYSWTZBBEMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O6/c1-4-35-22-14-12-21(13-15-22)30(28(32)24-10-7-17-36-24)26(27(31)29-20-8-5-6-9-20)19-11-16-23(33-2)25(18-19)34-3/h7,10-18,20,26H,4-6,8-9H2,1-3H3,(H,29,31).
What are the key properties of N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide?
N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide has a molecular weight of 492.57 g/mol, XLogP of 5.14, 10 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-ethoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 3196871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).