1,3-dimethoxy-1,3-diphenylurea

C15H16N2O3 — CID 141165239

IUPAC1,3-dimethoxy-1,3-diphenylurea
SMILESCON(C(=O)N(OC)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2O3/c1-19-16(13-9-5-3-6-10-13)15(18)17(20-2)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeySFXZVTGOKYSBQU-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.24
Rot. Bonds4

About 1,3-dimethoxy-1,3-diphenylurea

1,3-dimethoxy-1,3-diphenylurea (PubChem CID 141165239) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1,3-dimethoxy-1,3-diphenylurea.

Molecular Properties

Compound Name1,3-dimethoxy-1,3-diphenylurea
PubChem CID141165239
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1,3-dimethoxy-1,3-diphenylurea
SMILESCON(C(=O)N(OC)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2O3/c1-19-16(13-9-5-3-6-10-13)15(18)17(20-2)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeySFXZVTGOKYSBQU-UHFFFAOYSA-N
XLogP3.24
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-1-phenylurea
CID 15620442
N-methoxy-N-phenylprop-2-enamide
CID 11816178
2,2,2-trichloroethyl N-methoxy-N-phenylcarbamate
CID 132518639
1-methoxy-3-methyl-1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 146307600
1-(2-methoxyphenoxy)-3,3-dimethyl-1-phenylurea
CID 88796958
(2S)-2-(N-methoxyanilino)propanoic acid
CID 54118972
3-(N-methoxyanilino)propanoic acid
CID 159444920
N-methoxy-N-methyl-2-(N-methylanilino)acetamide
CID 121220639
1-phenyl-1-(1-phenylpropan-2-yloxy)urea
CID 88763231
2-benzyl-N-methoxy-N,4-diphenylbenzamide
CID 87843433
phenyl(trifluoromethoxy)carbamic acid
CID 87790177
methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 5323791

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-1,3-diphenylurea?
The IUPAC name of 1,3-dimethoxy-1,3-diphenylurea (CID 141165239) is 1,3-dimethoxy-1,3-diphenylurea.
What is the SMILES notation for 1,3-dimethoxy-1,3-diphenylurea?
The canonical SMILES for 1,3-dimethoxy-1,3-diphenylurea is CON(C(=O)N(OC)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-dimethoxy-1,3-diphenylurea?
The InChIKey is SFXZVTGOKYSBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-16(13-9-5-3-6-10-13)15(18)17(20-2)14-11-7-4-8-12-14/h3-12H,1-2H3.
What are the key properties of 1,3-dimethoxy-1,3-diphenylurea?
1,3-dimethoxy-1,3-diphenylurea has a molecular weight of 272.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-1,3-diphenylurea is sourced from PubChem (CID 141165239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).