N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide

C23H28N2O5 — CID 651508

IUPACN-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
SMILESCOc1cccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CC2)c1OC
InChIInChI=1S/C23H28N2O5/c1-28-18-10-5-9-17(21(18)29-2)20(22(26)24-15-7-3-4-8-15)25(16-12-13-16)23(27)19-11-6-14-30-19/h5-6,9-11,14-16,20H,3-4,7-8,12-13H2,1-2H3,(H,24,26)
InChIKeyAEGOBAOSTAGKEJ-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.70
Rot. Bonds8

About N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide

N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide (PubChem CID 651508) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
PubChem CID651508
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC NameN-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
SMILESCOc1cccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CC2)c1OC
InChIInChI=1S/C23H28N2O5/c1-28-18-10-5-9-17(21(18)29-2)20(22(26)24-15-7-3-4-8-15)25(16-12-13-16)23(27)19-11-6-14-30-19/h5-6,9-11,14-16,20H,3-4,7-8,12-13H2,1-2H3,(H,24,26)
InChIKeyAEGOBAOSTAGKEJ-UHFFFAOYSA-N
XLogP3.70
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide (CID 651508) is N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide is COc1cccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CC2)c1OC.
What is the InChIKey of N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide?
The InChIKey is AEGOBAOSTAGKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-28-18-10-5-9-17(21(18)29-2)20(22(26)24-15-7-3-4-8-15)25(16-12-13-16)23(27)19-11-6-14-30-19/h5-6,9-11,14-16,20H,3-4,7-8,12-13H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide?
N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide is sourced from PubChem (CID 651508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).