N-benzyl-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide

C29H33N3O4 — CID 652669

IUPACN-benzyl-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NC1CCCC1)C(c1ccc(N2CCOCC2)cc1)N(Cc1ccccc1)C(=O)c1ccco1
InChIInChI=1S/C29H33N3O4/c33-28(30-24-9-4-5-10-24)27(23-12-14-25(15-13-23)31-16-19-35-20-17-31)32(21-22-7-2-1-3-8-22)29(34)26-11-6-18-36-26/h1-3,6-8,11-15,18,24,27H,4-5,9-10,16-17,19-21H2,(H,30,33)
InChIKeyKPDGLDYXJILDTK-UHFFFAOYSA-N
MW487.60 g/mol
LogP4.56
Rot. Bonds8

About N-benzyl-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide

N-benzyl-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide (PubChem CID 652669) has the molecular formula C29H33N3O4 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-benzyl-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide
PubChem CID652669
Molecular FormulaC29H33N3O4
Molecular Weight487.60 g/mol
Exact Mass487.25
IUPAC NameN-benzyl-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NC1CCCC1)C(c1ccc(N2CCOCC2)cc1)N(Cc1ccccc1)C(=O)c1ccco1
InChIInChI=1S/C29H33N3O4/c33-28(30-24-9-4-5-10-24)27(23-12-14-25(15-13-23)31-16-19-35-20-17-31)32(21-22-7-2-1-3-8-22)29(34)26-11-6-18-36-26/h1-3,6-8,11-15,18,24,27H,4-5,9-10,16-17,19-21H2,(H,30,33)
InChIKeyKPDGLDYXJILDTK-UHFFFAOYSA-N
XLogP4.56
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-benzyl-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide (CID 652669) is N-benzyl-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide is O=C(NC1CCCC1)C(c1ccc(N2CCOCC2)cc1)N(Cc1ccccc1)C(=O)c1ccco1.
What is the InChIKey of N-benzyl-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is KPDGLDYXJILDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O4/c33-28(30-24-9-4-5-10-24)27(23-12-14-25(15-13-23)31-16-19-35-20-17-31)32(21-22-7-2-1-3-8-22)29(34)26-11-6-18-36-26/h1-3,6-8,11-15,18,24,27H,4-5,9-10,16-17,19-21H2,(H,30,33).
What are the key properties of N-benzyl-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide?
N-benzyl-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 487.60 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 652669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).