1-(1,1-dimethoxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea

C15H24N2O3 — CID 3759516

IUPAC1-(1,1-dimethoxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea
SMILESCOC(OC)C(C)NC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C15H24N2O3/c1-9-7-10(2)13(11(3)8-9)17-15(18)16-12(4)14(19-5)20-6/h7-8,12,14H,1-6H3,(H2,16,17,18)
InChIKeyNDWFYTOTGZRLNZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.74
Rot. Bonds5

About 1-(1,1-dimethoxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea

1-(1,1-dimethoxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea (PubChem CID 3759516) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(1,1-dimethoxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-(1,1-dimethoxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea
PubChem CID3759516
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(1,1-dimethoxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea
SMILESCOC(OC)C(C)NC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C15H24N2O3/c1-9-7-10(2)13(11(3)8-9)17-15(18)16-12(4)14(19-5)20-6/h7-8,12,14H,1-6H3,(H2,16,17,18)
InChIKeyNDWFYTOTGZRLNZ-UHFFFAOYSA-N
XLogP2.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[(2,4,6-trimethylphenyl)carbamoylamino]pentanoic acid
CID 61181835
1-[1-(4-chlorophenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 108879801
1-[1-(4-propan-2-ylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 108880547
(2S)-3-hydroxy-2-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid
CID 61181326
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 51944133
1-[2,2,2-trichloro-1-[2-[2,2,2-trichloro-1-[(2,4,6-trimethylphenyl)carbamoylamino]ethoxy]phenoxy]ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 4064802
1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 95155199
methyl 3-(4-fluorophenyl)-2-[(2,4,6-trimethylphenyl)carbamoylamino]propanoate
CID 3758164
1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-pentan-2-yl]urea
CID 51928207
N-(1,1-dimethoxypropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66157155
1-(N'-methylcarbamimidoyl)-3-(2,4,6-trimethylphenyl)urea;hydrochloride
CID 3049564

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dimethoxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-(1,1-dimethoxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea (CID 3759516) is 1-(1,1-dimethoxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-(1,1-dimethoxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-(1,1-dimethoxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea is COC(OC)C(C)NC(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 1-(1,1-dimethoxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is NDWFYTOTGZRLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-9-7-10(2)13(11(3)8-9)17-15(18)16-12(4)14(19-5)20-6/h7-8,12,14H,1-6H3,(H2,16,17,18).
What are the key properties of 1-(1,1-dimethoxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea?
1-(1,1-dimethoxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 280.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dimethoxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 3759516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).