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

C28H30N2O6 — CID 3196753

IUPACN-(4-acetylphenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide
SMILESCOc1cccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C(C)=O)cc2)c1OC
InChIInChI=1S/C28H30N2O6/c1-18(31)19-13-15-21(16-14-19)30(28(33)24-12-7-17-36-24)25(27(32)29-20-8-4-5-9-20)22-10-6-11-23(34-2)26(22)35-3/h6-7,10-17,20,25H,4-5,8-9H2,1-3H3,(H,29,32)
InChIKeyZGKXMHUUABOIBW-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.95
Rot. Bonds9

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

N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide (PubChem CID 3196753) has the molecular formula C28H30N2O6 and a molecular weight of 490.56 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide
PubChem CID3196753
Molecular FormulaC28H30N2O6
Molecular Weight490.56 g/mol
Exact Mass490.21
IUPAC NameN-(4-acetylphenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide
SMILESCOc1cccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C(C)=O)cc2)c1OC
InChIInChI=1S/C28H30N2O6/c1-18(31)19-13-15-21(16-14-19)30(28(33)24-12-7-17-36-24)25(27(32)29-20-8-4-5-9-20)22-10-6-11-23(34-2)26(22)35-3/h6-7,10-17,20,25H,4-5,8-9H2,1-3H3,(H,29,32)
InChIKeyZGKXMHUUABOIBW-UHFFFAOYSA-N
XLogP4.95
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide (CID 3196753) is N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide is COc1cccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C(C)=O)cc2)c1OC.
What is the InChIKey of N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is ZGKXMHUUABOIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O6/c1-18(31)19-13-15-21(16-14-19)30(28(33)24-12-7-17-36-24)25(27(32)29-20-8-4-5-9-20)22-10-6-11-23(34-2)26(22)35-3/h6-7,10-17,20,25H,4-5,8-9H2,1-3H3,(H,29,32).
What are the key properties of N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide?
N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 3196753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).