N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2-methyl-N-phenylfuran-3-carboxamide

C26H28N2O4 — CID 3207844

IUPACN-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2-methyl-N-phenylfuran-3-carboxamide
SMILESCOc1ccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccoc2C)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O4/c1-18-23(16-17-32-18)26(30)28(21-10-4-3-5-11-21)24(19-12-14-22(31-2)15-13-19)25(29)27-20-8-6-7-9-20/h3-5,10-17,20,24H,6-9H2,1-2H3,(H,27,29)
InChIKeyBCKUUNFZPHVTFS-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.04
Rot. Bonds7

About N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2-methyl-N-phenylfuran-3-carboxamide

N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2-methyl-N-phenylfuran-3-carboxamide (PubChem CID 3207844) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2-methyl-N-phenylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2-methyl-N-phenylfuran-3-carboxamide
PubChem CID3207844
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC NameN-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2-methyl-N-phenylfuran-3-carboxamide
SMILESCOc1ccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccoc2C)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O4/c1-18-23(16-17-32-18)26(30)28(21-10-4-3-5-11-21)24(19-12-14-22(31-2)15-13-19)25(29)27-20-8-6-7-9-20/h3-5,10-17,20,24H,6-9H2,1-2H3,(H,27,29)
InChIKeyBCKUUNFZPHVTFS-UHFFFAOYSA-N
XLogP5.04
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2-methyl-N-phenylfuran-3-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2-methyl-N-phenylfuran-3-carboxamide (CID 3207844) is N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2-methyl-N-phenylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2-methyl-N-phenylfuran-3-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2-methyl-N-phenylfuran-3-carboxamide is COc1ccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccoc2C)c2ccccc2)cc1.
What is the InChIKey of N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2-methyl-N-phenylfuran-3-carboxamide?
The InChIKey is BCKUUNFZPHVTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-18-23(16-17-32-18)26(30)28(21-10-4-3-5-11-21)24(19-12-14-22(31-2)15-13-19)25(29)27-20-8-6-7-9-20/h3-5,10-17,20,24H,6-9H2,1-2H3,(H,27,29).
What are the key properties of N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2-methyl-N-phenylfuran-3-carboxamide?
N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2-methyl-N-phenylfuran-3-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2-methyl-N-phenylfuran-3-carboxamide is sourced from PubChem (CID 3207844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).