butane;1,1-diphenylurea

C17H22N2O — CID 70397101

IUPACbutane;1,1-diphenylurea
SMILESCCCC.NC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12N2O.C4H10/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-4-2/h1-10H,(H2,14,16);3-4H2,1-2H3
InChIKeyYGCSTPRGIHCFAU-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.71
Rot. Bonds3

About butane;1,1-diphenylurea

butane;1,1-diphenylurea (PubChem CID 70397101) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is butane;1,1-diphenylurea.

Molecular Properties

Compound Namebutane;1,1-diphenylurea
PubChem CID70397101
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Namebutane;1,1-diphenylurea
SMILESCCCC.NC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12N2O.C4H10/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-4-2/h1-10H,(H2,14,16);3-4H2,1-2H3
InChIKeyYGCSTPRGIHCFAU-UHFFFAOYSA-N
XLogP4.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-diphenylurea
CID 174849888
1-phenyl-1-(4-phenylphenyl)urea
CID 90698606
1-[4-(2-oxoethyl)phenyl]-1-phenylurea
CID 91426853
1-(4-formylphenyl)-1-phenylurea
CID 57262410
cobalt;bis(diphenylcarbamic acid)
CID 155679078
N-phenylpropanehydrazide
CID 18522904
1-ethyl-1-methyl-3,3-diphenylurea
CID 67018920
2-(N-carbamoylanilino)benzamide
CID 68726010
1-(2-fluorophenyl)-1-phenylurea
CID 150840267
3-ethoxy-1,1-diphenylurea
CID 162373128
diethyl 2-[1-oxo-1-(N-phenylanilino)propan-2-yl]propanedioate
CID 135072806
(N-carbamoylanilino)oxy-ethylphosphinic acid
CID 90007837

Frequently Asked Questions

What is the IUPAC name of butane;1,1-diphenylurea?
The IUPAC name of butane;1,1-diphenylurea (CID 70397101) is butane;1,1-diphenylurea.
What is the SMILES notation for butane;1,1-diphenylurea?
The canonical SMILES for butane;1,1-diphenylurea is CCCC.NC(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of butane;1,1-diphenylurea?
The InChIKey is YGCSTPRGIHCFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O.C4H10/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-4-2/h1-10H,(H2,14,16);3-4H2,1-2H3.
What are the key properties of butane;1,1-diphenylurea?
butane;1,1-diphenylurea has a molecular weight of 270.38 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1,1-diphenylurea is sourced from PubChem (CID 70397101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).