Daimuron

C17H20N2O — CID 39238

IUPAC1-(4-methylphenyl)-3-(2-phenylpropan-2-yl)urea
SMILESCC1=CC=C(C=C1)NC(=O)NC(C)(C)C2=CC=CC=C2
InChIInChI=1S/C17H20N2O/c1-13-9-11-15(12-10-13)18-16(20)19-17(2,3)14-7-5-4-6-8-14/h4-12H,1-3H3,(H2,18,19,20)
InChIKeyNNYRZQHKCHEXSD-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.40
Rot. Bonds3

About Daimuron

Daimuron (PubChem CID 39238) has the molecular formula C17H20N2O and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(2-phenylpropan-2-yl)urea.

Molecular Properties

Compound NameDaimuron
PubChem CID39238
Molecular FormulaC17H20N2O
Molecular Weight268.35 g/mol
Exact Mass268.16
IUPAC Name1-(4-methylphenyl)-3-(2-phenylpropan-2-yl)urea
SMILESCC1=CC=C(C=C1)NC(=O)NC(C)(C)C2=CC=CC=C2
InChIInChI=1S/C17H20N2O/c1-13-9-11-15(12-10-13)18-16(20)19-17(2,3)14-7-5-4-6-8-14/h4-12H,1-3H3,(H2,18,19,20)
InChIKeyNNYRZQHKCHEXSD-UHFFFAOYSA-N
XLogP3.40
TPSA41.10 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity313

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Isoproturon
CID 36679
N,N'-Diacetylbenzidine
CID 11942
N-Acetyl-4-aminobiphenyl
CID 19998
Acetylbenzidine
CID 18787
4,4'-Dioctyldiphenylamine
CID 7569
4,4'-Methylenebis(N-methylaniline)
CID 15735
N-(4-Methylphenyl)urea
CID 12148
Atglistatin
CID 71699712
1-(1-Naphthyl)-3-(P-tolyl)urea
CID 295006
Monodesmethylisoproturon
CID 182167
1-Adamantan-1-yl-3-phenyl-urea
CID 3090774
Urea, N,N-dimethyl-N'-(4-methylphenyl)-
CID 23549

Frequently Asked Questions

What is the IUPAC name of Daimuron?
The IUPAC name of Daimuron (CID 39238) is 1-(4-methylphenyl)-3-(2-phenylpropan-2-yl)urea.
What is the SMILES notation for Daimuron?
The canonical SMILES for Daimuron is CC1=CC=C(C=C1)NC(=O)NC(C)(C)C2=CC=CC=C2.
What is the InChIKey of Daimuron?
The InChIKey is NNYRZQHKCHEXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-9-11-15(12-10-13)18-16(20)19-17(2,3)14-7-5-4-6-8-14/h4-12H,1-3H3,(H2,18,19,20).
What are the key properties of Daimuron?
Daimuron has a molecular weight of 268.35 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Daimuron is sourced from PubChem (CID 39238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).