benzene;1,1-diphenyl-3-propan-2-ylurea

C22H24N2O — CID 70614789

IUPACbenzene;1,1-diphenyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(c1ccccc1)c1ccccc1.c1ccccc1
InChIInChI=1S/C16H18N2O.C6H6/c1-13(2)17-16(19)18(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-2-4-6-5-3-1/h3-13H,1-2H3,(H,17,19);1-6H
InChIKeyQHOCVUAPGWICLH-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.63
Rot. Bonds3

About benzene;1,1-diphenyl-3-propan-2-ylurea

benzene;1,1-diphenyl-3-propan-2-ylurea (PubChem CID 70614789) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is benzene;1,1-diphenyl-3-propan-2-ylurea.

Molecular Properties

Compound Namebenzene;1,1-diphenyl-3-propan-2-ylurea
PubChem CID70614789
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Namebenzene;1,1-diphenyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(c1ccccc1)c1ccccc1.c1ccccc1
InChIInChI=1S/C16H18N2O.C6H6/c1-13(2)17-16(19)18(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-2-4-6-5-3-1/h3-13H,1-2H3,(H,17,19);1-6H
InChIKeyQHOCVUAPGWICLH-UHFFFAOYSA-N
XLogP5.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-aminophenyl)-3-pentan-3-yl-1-phenylurea
CID 108888323
1,1-dibenzyl-3-propan-2-ylurea
CID 23988482
N'-phenyl-N,N'-di(propan-2-yl)propanediamide
CID 71028151
N,N-diphenyl-2-(1-phenylethylamino)acetamide
CID 68968814
2-[[methyl(phenyl)carbamoyl]amino]propanoic acid
CID 61187226
3-ethoxy-1,1-diphenylurea
CID 162373128
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
1,1-diphenyl-3-(phenylcarbamoyl)urea
CID 71359478
3-hydroxy-1-phenyl-1-propan-2-ylurea
CID 22717691
N-(propan-2-ylcarbamoyl)benzamide
CID 2986554
2-(N-[acetyl(methyl)amino]anilino)-2-oxo-N-propan-2-ylacetamide
CID 10755005
cobalt;bis(diphenylcarbamic acid)
CID 155679078

Frequently Asked Questions

What is the IUPAC name of benzene;1,1-diphenyl-3-propan-2-ylurea?
The IUPAC name of benzene;1,1-diphenyl-3-propan-2-ylurea (CID 70614789) is benzene;1,1-diphenyl-3-propan-2-ylurea.
What is the SMILES notation for benzene;1,1-diphenyl-3-propan-2-ylurea?
The canonical SMILES for benzene;1,1-diphenyl-3-propan-2-ylurea is CC(C)NC(=O)N(c1ccccc1)c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;1,1-diphenyl-3-propan-2-ylurea?
The InChIKey is QHOCVUAPGWICLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O.C6H6/c1-13(2)17-16(19)18(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-2-4-6-5-3-1/h3-13H,1-2H3,(H,17,19);1-6H.
What are the key properties of benzene;1,1-diphenyl-3-propan-2-ylurea?
benzene;1,1-diphenyl-3-propan-2-ylurea has a molecular weight of 332.45 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,1-diphenyl-3-propan-2-ylurea is sourced from PubChem (CID 70614789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).