1-(oxan-4-ylmethyl)-3-(2,4,6-trimethylphenyl)urea

C16H24N2O2 — CID 108912803

IUPAC1-(oxan-4-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NCC2CCOCC2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-11-8-12(2)15(13(3)9-11)18-16(19)17-10-14-4-6-20-7-5-14/h8-9,14H,4-7,10H2,1-3H3,(H2,17,18,19)
InChIKeyGEGQYGLBDDFFHX-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.16
Rot. Bonds3

About 1-(oxan-4-ylmethyl)-3-(2,4,6-trimethylphenyl)urea

1-(oxan-4-ylmethyl)-3-(2,4,6-trimethylphenyl)urea (PubChem CID 108912803) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
PubChem CID108912803
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(oxan-4-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NCC2CCOCC2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-11-8-12(2)15(13(3)9-11)18-16(19)17-10-14-4-6-20-7-5-14/h8-9,14H,4-7,10H2,1-3H3,(H2,17,18,19)
InChIKeyGEGQYGLBDDFFHX-UHFFFAOYSA-N
XLogP3.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(oxan-4-ylmethyl)-3-(2,4,6-trimethylphenyl)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-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea
CID 5188255
1-(2-chloro-4,6-dimethylphenyl)-3-[3-[(3S)-oxolan-3-yl]propyl]urea
CID 97437249
1-(2-cyclohexylethyl)-3-(2,4,6-trimethylphenyl)urea
CID 108888511
4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 110736358
1-(4-methoxy-2-methylphenyl)-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 125170007
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea
CID 111103394
1-(2,4-dichlorophenyl)-3-(oxan-4-ylmethyl)urea
CID 108912758
1-(2,4-difluorophenyl)-3-(oxan-4-ylmethyl)urea
CID 108912997
2-methoxy-N-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]acetamide
CID 118763767
1-(5-chloro-2-hydroxyphenyl)-3-(oxan-4-ylmethyl)urea
CID 108912841
N-(cyclopropylmethyl)-2-[[4-(dimethylamino)-2,6-dimethylphenyl]carbamoylamino]acetamide
CID 75517626
1-(4-bromo-2-pyridinyl)-3-(oxan-4-ylmethyl)urea
CID 108913036

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-(oxan-4-ylmethyl)-3-(2,4,6-trimethylphenyl)urea (CID 108912803) is 1-(oxan-4-ylmethyl)-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-(oxan-4-ylmethyl)-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-(oxan-4-ylmethyl)-3-(2,4,6-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)NCC2CCOCC2)c(C)c1.
What is the InChIKey of 1-(oxan-4-ylmethyl)-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is GEGQYGLBDDFFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-8-12(2)15(13(3)9-11)18-16(19)17-10-14-4-6-20-7-5-14/h8-9,14H,4-7,10H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-(oxan-4-ylmethyl)-3-(2,4,6-trimethylphenyl)urea?
1-(oxan-4-ylmethyl)-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 276.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 108912803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).