1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea

C15H22N2O2 — CID 110875739

IUPAC1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea
SMILESCc1ccc(NC(=O)N(C)CC2CCOCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-12-3-5-14(6-4-12)16-15(18)17(2)11-13-7-9-19-10-8-13/h3-6,13H,7-11H2,1-2H3,(H,16,18)
InChIKeyIYBFAOMTXVHOMM-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.89
Rot. Bonds3

About 1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea

1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea (PubChem CID 110875739) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea
PubChem CID110875739
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea
SMILESCc1ccc(NC(=O)N(C)CC2CCOCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-12-3-5-14(6-4-12)16-15(18)17(2)11-13-7-9-19-10-8-13/h3-6,13H,7-11H2,1-2H3,(H,16,18)
InChIKeyIYBFAOMTXVHOMM-UHFFFAOYSA-N
XLogP2.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-1-(oxan-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 91905230
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91914988
3-(2,6-dimethylphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91905258
3-(3,5-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875836
3-(3-chloro-4-methoxyphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91914983
3-(2,6-dimethylphenyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875844
3-(2-bromophenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91905253
4-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63656761
1-methyl-1-(oxan-4-ylmethyl)-3-phenylthiourea
CID 115878721
3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
CID 110875744
N-[4-[2-[methyl(oxan-4-ylmethyl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420245
1-methyl-1-(oxan-4-ylmethyl)-3-propylurea
CID 110752121

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea?
The IUPAC name of 1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea (CID 110875739) is 1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea is Cc1ccc(NC(=O)N(C)CC2CCOCC2)cc1.
What is the InChIKey of 1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea?
The InChIKey is IYBFAOMTXVHOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-3-5-14(6-4-12)16-15(18)17(2)11-13-7-9-19-10-8-13/h3-6,13H,7-11H2,1-2H3,(H,16,18).
What are the key properties of 1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea?
1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea has a molecular weight of 262.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylphenyl)-1-(oxan-4-ylmethyl)urea is sourced from PubChem (CID 110875739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).