1-[2-methyl-2-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethyl)urea

C17H26N2O2 — CID 113214152

IUPAC1-[2-methyl-2-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethyl)urea
SMILESCc1ccc(C(C)(C)CNC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C17H26N2O2/c1-13-6-8-14(9-7-13)17(2,3)12-19-16(20)18-11-15-5-4-10-21-15/h6-9,15H,4-5,10-12H2,1-3H3,(H2,18,19,20)
InChIKeyDOXMCWJTTMPAOO-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.75
Rot. Bonds5

About 1-[2-methyl-2-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethyl)urea

1-[2-methyl-2-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethyl)urea (PubChem CID 113214152) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[2-methyl-2-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-methyl-2-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethyl)urea
PubChem CID113214152
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[2-methyl-2-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethyl)urea
SMILESCc1ccc(C(C)(C)CNC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C17H26N2O2/c1-13-6-8-14(9-7-13)17(2,3)12-19-16(20)18-11-15-5-4-10-21-15/h6-9,15H,4-5,10-12H2,1-3H3,(H2,18,19,20)
InChIKeyDOXMCWJTTMPAOO-UHFFFAOYSA-N
XLogP2.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 113198023
1-[2-(4-methylphenoxy)ethyl]-3-(oxolan-2-ylmethyl)urea
CID 47133756
1-[2-(4-chlorophenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)urea
CID 113216252
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943682
2-(oxolan-2-ylmethylcarbamoylamino)-2-phenylpropanoic acid
CID 16786304
2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 112991346
4-tert-butyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
CID 2947452
(2R)-2-(4-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 837819
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 82108842

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-2-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-[2-methyl-2-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethyl)urea (CID 113214152) is 1-[2-methyl-2-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-methyl-2-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-[2-methyl-2-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethyl)urea is Cc1ccc(C(C)(C)CNC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 1-[2-methyl-2-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethyl)urea?
The InChIKey is DOXMCWJTTMPAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-6-8-14(9-7-13)17(2,3)12-19-16(20)18-11-15-5-4-10-21-15/h6-9,15H,4-5,10-12H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-[2-methyl-2-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethyl)urea?
1-[2-methyl-2-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethyl)urea has a molecular weight of 290.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-2-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 113214152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).