N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide

C27H33N3O4 — CID 5010138

IUPACN-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCCC2)C(=O)c2ccco2)o1
InChIInChI=1S/C27H33N3O4/c1-22-11-12-24(34-22)20-29(16-13-23-8-3-2-4-9-23)26(31)21-30(18-17-28-14-5-6-15-28)27(32)25-10-7-19-33-25/h2-4,7-12,19H,5-6,13-18,20-21H2,1H3
InChIKeySCXNWBQMNIKUCI-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.99
Rot. Bonds11

About N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide

N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide (PubChem CID 5010138) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
PubChem CID5010138
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC NameN-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCCC2)C(=O)c2ccco2)o1
InChIInChI=1S/C27H33N3O4/c1-22-11-12-24(34-22)20-29(16-13-23-8-3-2-4-9-23)26(31)21-30(18-17-28-14-5-6-15-28)27(32)25-10-7-19-33-25/h2-4,7-12,19H,5-6,13-18,20-21H2,1H3
InChIKeySCXNWBQMNIKUCI-UHFFFAOYSA-N
XLogP3.99
TPSA70.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
The IUPAC name of N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide (CID 5010138) is N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide is Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCCC2)C(=O)c2ccco2)o1.
What is the InChIKey of N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
The InChIKey is SCXNWBQMNIKUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-22-11-12-24(34-22)20-29(16-13-23-8-3-2-4-9-23)26(31)21-30(18-17-28-14-5-6-15-28)27(32)25-10-7-19-33-25/h2-4,7-12,19H,5-6,13-18,20-21H2,1H3.
What are the key properties of N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide?
N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 3.99, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 5010138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).