1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-phenylurea

C20H24N2O — CID 146169849

IUPAC1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-phenylurea
SMILESC=C(CC(C)(C)CNC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O/c1-16(17-10-6-4-7-11-17)14-20(2,3)15-21-19(23)22-18-12-8-5-9-13-18/h4-13H,1,14-15H2,2-3H3,(H2,21,22,23)
InChIKeyGYYCXHZBXUDNQP-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.94
Rot. Bonds6

About 1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-phenylurea

1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-phenylurea (PubChem CID 146169849) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-phenylurea
PubChem CID146169849
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-phenylurea
SMILESC=C(CC(C)(C)CNC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O/c1-16(17-10-6-4-7-11-17)14-20(2,3)15-21-19(23)22-18-12-8-5-9-13-18/h4-13H,1,14-15H2,2-3H3,(H2,21,22,23)
InChIKeyGYYCXHZBXUDNQP-UHFFFAOYSA-N
XLogP4.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 164665723
1-(4-amino-2,2-dimethylbutyl)-3-phenylurea
CID 106141235
1-(5-amino-2,2-dimethylpentyl)-3-phenylurea
CID 114149047
1-[(2S)-2-hydroxy-2-methylbutyl]-3-phenylurea
CID 94797729
1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213276
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]benzoic acid
CID 61192307
N-(2-hydroxy-2-methylpropyl)-2-(phenylcarbamoylamino)acetamide
CID 65109810
1-[2-(2-hydroxypropylamino)-2-methylpropyl]-3-phenylurea
CID 173411777
1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 121112096
1-(2-chloropropyl)-3-phenylurea
CID 70181020
1-(3-acetylphenyl)-3-(4-methoxy-2,2-dimethylbutyl)urea
CID 104625314
methyl 2-hydroxy-2-methyl-4-phenylpent-4-enoate
CID 102353733

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-phenylurea?
The IUPAC name of 1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-phenylurea (CID 146169849) is 1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-phenylurea.
What is the SMILES notation for 1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-phenylurea?
The canonical SMILES for 1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-phenylurea is C=C(CC(C)(C)CNC(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-phenylurea?
The InChIKey is GYYCXHZBXUDNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-16(17-10-6-4-7-11-17)14-20(2,3)15-21-19(23)22-18-12-8-5-9-13-18/h4-13H,1,14-15H2,2-3H3,(H2,21,22,23).
What are the key properties of 1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-phenylurea?
1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-phenylurea has a molecular weight of 308.43 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-phenylurea is sourced from PubChem (CID 146169849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).