6-[4-[methyl-[3-(4-methylphenyl)propyl]amino]cyclohexyl]-3H-1,3-benzoxazol-2-one

C24H30N2O2 — CID 10110223

IUPAC6-[4-[methyl-[3-(4-methylphenyl)propyl]amino]cyclohexyl]-3H-1,3-benzoxazol-2-one
SMILESCc1ccc(CCCN(C)C2CCC(c3ccc4[nH]c(=O)oc4c3)CC2)cc1
InChIInChI=1S/C24H30N2O2/c1-17-5-7-18(8-6-17)4-3-15-26(2)21-12-9-19(10-13-21)20-11-14-22-23(16-20)28-24(27)25-22/h5-8,11,14,16,19,21H,3-4,9-10,12-13,15H2,1-2H3,(H,25,27)
InChIKeySUGNCGHIDKAIAE-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.02
Rot. Bonds6

About 6-[4-[methyl-[3-(4-methylphenyl)propyl]amino]cyclohexyl]-3H-1,3-benzoxazol-2-one

6-[4-[methyl-[3-(4-methylphenyl)propyl]amino]cyclohexyl]-3H-1,3-benzoxazol-2-one (PubChem CID 10110223) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 6-[4-[methyl-[3-(4-methylphenyl)propyl]amino]cyclohexyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[4-[methyl-[3-(4-methylphenyl)propyl]amino]cyclohexyl]-3H-1,3-benzoxazol-2-one
PubChem CID10110223
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name6-[4-[methyl-[3-(4-methylphenyl)propyl]amino]cyclohexyl]-3H-1,3-benzoxazol-2-one
SMILESCc1ccc(CCCN(C)C2CCC(c3ccc4[nH]c(=O)oc4c3)CC2)cc1
InChIInChI=1S/C24H30N2O2/c1-17-5-7-18(8-6-17)4-3-15-26(2)21-12-9-19(10-13-21)20-11-14-22-23(16-20)28-24(27)25-22/h5-8,11,14,16,19,21H,3-4,9-10,12-13,15H2,1-2H3,(H,25,27)
InChIKeySUGNCGHIDKAIAE-UHFFFAOYSA-N
XLogP5.02
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[4-[methyl-[3-(4-methylphenyl)propyl]amino]cyclohexyl]-3H-1,3-benzoxazol-2-one 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 6-[4-[methyl-[3-(4-methylphenyl)propyl]amino]cyclohexyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[4-[methyl-[3-(4-methylphenyl)propyl]amino]cyclohexyl]-3H-1,3-benzoxazol-2-one (CID 10110223) is 6-[4-[methyl-[3-(4-methylphenyl)propyl]amino]cyclohexyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[4-[methyl-[3-(4-methylphenyl)propyl]amino]cyclohexyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[4-[methyl-[3-(4-methylphenyl)propyl]amino]cyclohexyl]-3H-1,3-benzoxazol-2-one is Cc1ccc(CCCN(C)C2CCC(c3ccc4[nH]c(=O)oc4c3)CC2)cc1.
What is the InChIKey of 6-[4-[methyl-[3-(4-methylphenyl)propyl]amino]cyclohexyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is SUGNCGHIDKAIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-17-5-7-18(8-6-17)4-3-15-26(2)21-12-9-19(10-13-21)20-11-14-22-23(16-20)28-24(27)25-22/h5-8,11,14,16,19,21H,3-4,9-10,12-13,15H2,1-2H3,(H,25,27).
What are the key properties of 6-[4-[methyl-[3-(4-methylphenyl)propyl]amino]cyclohexyl]-3H-1,3-benzoxazol-2-one?
6-[4-[methyl-[3-(4-methylphenyl)propyl]amino]cyclohexyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 378.52 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[methyl-[3-(4-methylphenyl)propyl]amino]cyclohexyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 10110223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).