1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea

C24H32N2O — CID 14977526

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C24H32N2O/c1-17(2)20-12-8-13-21(18(3)4)22(20)26-23(27)25-16-24(14-9-15-24)19-10-6-5-7-11-19/h5-8,10-13,17-18H,9,14-16H2,1-4H3,(H2,25,26,27)
InChIKeyLFMKUPRSZLNROF-UHFFFAOYSA-N
MW364.53 g/mol
LogP6.18
Rot. Bonds6

About 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea

1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea (PubChem CID 14977526) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea
PubChem CID14977526
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C24H32N2O/c1-17(2)20-12-8-13-21(18(3)4)22(20)26-23(27)25-16-24(14-9-15-24)19-10-6-5-7-11-19/h5-8,10-13,17-18H,9,14-16H2,1-4H3,(H2,25,26,27)
InChIKeyLFMKUPRSZLNROF-UHFFFAOYSA-N
XLogP6.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methyl-6-propan-2-ylphenyl)-3-[(1-phenylcyclopentyl)methyl]urea
CID 14977537
1-[(1-phenylcyclobutyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 113214970
1-[2,6-di(propan-2-yl)phenyl]-3-[[1-[4-(hydroxymethyl)phenyl]cyclopentyl]methyl]urea
CID 10476581
1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 14977491
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-pyridin-3-ylcyclopentyl)methyl]urea
CID 14977528
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103405
1-[2,6-di(propan-2-yl)phenyl]-3-[(2-phenyl-1,3-dithiolan-2-yl)methyl]urea
CID 19781976
N-[2,6-di(propan-2-yl)phenyl]-2-[(1-phenylcyclopentyl)methylamino]hexanamide
CID 67942789
1-[2-(difluoromethoxy)-6-methylphenyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 56586698
1-(2,6-difluorophenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213951
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
CID 14977495

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea (CID 14977526) is 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea is CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccccc2)CCC1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea?
The InChIKey is LFMKUPRSZLNROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-17(2)20-12-8-13-21(18(3)4)22(20)26-23(27)25-16-24(14-9-15-24)19-10-6-5-7-11-19/h5-8,10-13,17-18H,9,14-16H2,1-4H3,(H2,25,26,27).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea?
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea has a molecular weight of 364.53 g/mol, XLogP of 6.18, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-[(1-phenylcyclobutyl)methyl]urea is sourced from PubChem (CID 14977526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).