N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide

C23H28N6O4 — CID 3179808

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)NC1CCCC1)C(=O)Cn1nnc(-c2ccc(C)o2)n1
InChIInChI=1S/C23H28N6O4/c1-15-8-10-19(32-3)18(12-15)28(13-21(30)24-17-6-4-5-7-17)22(31)14-29-26-23(25-27-29)20-11-9-16(2)33-20/h8-12,17H,4-7,13-14H2,1-3H3,(H,24,30)
InChIKeyXLRJJIPWXNJFNW-UHFFFAOYSA-N
MW452.52 g/mol
LogP2.65
Rot. Bonds8

About N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide (PubChem CID 3179808) has the molecular formula C23H28N6O4 and a molecular weight of 452.52 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
PubChem CID3179808
Molecular FormulaC23H28N6O4
Molecular Weight452.52 g/mol
Exact Mass452.22
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)NC1CCCC1)C(=O)Cn1nnc(-c2ccc(C)o2)n1
InChIInChI=1S/C23H28N6O4/c1-15-8-10-19(32-3)18(12-15)28(13-21(30)24-17-6-4-5-7-17)22(31)14-29-26-23(25-27-29)20-11-9-16(2)33-20/h8-12,17H,4-7,13-14H2,1-3H3,(H,24,30)
InChIKeyXLRJJIPWXNJFNW-UHFFFAOYSA-N
XLogP2.65
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide 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-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide (CID 3179808) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide is COc1ccc(C)cc1N(CC(=O)NC1CCCC1)C(=O)Cn1nnc(-c2ccc(C)o2)n1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The InChIKey is XLRJJIPWXNJFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4/c1-15-8-10-19(32-3)18(12-15)28(13-21(30)24-17-6-4-5-7-17)22(31)14-29-26-23(25-27-29)20-11-9-16(2)33-20/h8-12,17H,4-7,13-14H2,1-3H3,(H,24,30).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide has a molecular weight of 452.52 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 3179808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).