N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide

C25H31N3O3 — CID 59014323

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide
SMILESCc1ccc(-c2ccc3oc(=O)n(CC(=O)NCCN(C)C4CCCCC4)c3c2)cc1
InChIInChI=1S/C25H31N3O3/c1-18-8-10-19(11-9-18)20-12-13-23-22(16-20)28(25(30)31-23)17-24(29)26-14-15-27(2)21-6-4-3-5-7-21/h8-13,16,21H,3-7,14-15,17H2,1-2H3,(H,26,29)
InChIKeyMXUXNGSIWXKUPW-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.95
Rot. Bonds7

About N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide

N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide (PubChem CID 59014323) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide
PubChem CID59014323
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide
SMILESCc1ccc(-c2ccc3oc(=O)n(CC(=O)NCCN(C)C4CCCCC4)c3c2)cc1
InChIInChI=1S/C25H31N3O3/c1-18-8-10-19(11-9-18)20-12-13-23-22(16-20)28(25(30)31-23)17-24(29)26-14-15-27(2)21-6-4-3-5-7-21/h8-13,16,21H,3-7,14-15,17H2,1-2H3,(H,26,29)
InChIKeyMXUXNGSIWXKUPW-UHFFFAOYSA-N
XLogP3.95
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-benzoxazol-3-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-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide (CID 59014323) is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide is Cc1ccc(-c2ccc3oc(=O)n(CC(=O)NCCN(C)C4CCCCC4)c3c2)cc1.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide?
The InChIKey is MXUXNGSIWXKUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-18-8-10-19(11-9-18)20-12-13-23-22(16-20)28(25(30)31-23)17-24(29)26-14-15-27(2)21-6-4-3-5-7-21/h8-13,16,21H,3-7,14-15,17H2,1-2H3,(H,26,29).
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide has a molecular weight of 421.54 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[5-(4-methylphenyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide is sourced from PubChem (CID 59014323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).