1-(5-amino-2,2-dimethylpentyl)-3-phenylurea

C14H23N3O — CID 114149047

IUPAC1-(5-amino-2,2-dimethylpentyl)-3-phenylurea
SMILESCC(C)(CCCN)CNC(=O)Nc1ccccc1
InChIInChI=1S/C14H23N3O/c1-14(2,9-6-10-15)11-16-13(18)17-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11,15H2,1-2H3,(H2,16,17,18)
InChIKeyOYGMOKCGIIOIBG-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.57
Rot. Bonds6

About 1-(5-amino-2,2-dimethylpentyl)-3-phenylurea

1-(5-amino-2,2-dimethylpentyl)-3-phenylurea (PubChem CID 114149047) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(5-amino-2,2-dimethylpentyl)-3-phenylurea.

Molecular Properties

Compound Name1-(5-amino-2,2-dimethylpentyl)-3-phenylurea
PubChem CID114149047
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(5-amino-2,2-dimethylpentyl)-3-phenylurea
SMILESCC(C)(CCCN)CNC(=O)Nc1ccccc1
InChIInChI=1S/C14H23N3O/c1-14(2,9-6-10-15)11-16-13(18)17-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11,15H2,1-2H3,(H2,16,17,18)
InChIKeyOYGMOKCGIIOIBG-UHFFFAOYSA-N
XLogP2.57
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(5-amino-2,2-dimethylpentyl)-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-(4-amino-2,2-dimethylbutyl)-3-phenylurea
CID 106141235
1-(4-amino-2,2-dimethylbutyl)-3-(2-fluorophenyl)urea
CID 106141258
1-(2,2-dimethyl-4-phenylpent-4-enyl)-3-phenylurea
CID 146169849
1-[(2S)-2-hydroxy-2-methylbutyl]-3-phenylurea
CID 94797729
3-(3-aminopropylsulfanyl)-2,2-dimethyl-N-phenylpropanamide
CID 66218595
6-amino-4,4-dimethyl-N-phenylhexanamide
CID 65292724
2-anilino-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 106148276
1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213276
N-(2-hydroxy-2-methylpropyl)-2-(phenylcarbamoylamino)acetamide
CID 65109810
1-[2-(2-hydroxypropylamino)-2-methylpropyl]-3-phenylurea
CID 173411777
N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylpropanamide
CID 106140502
1-(2-chloropropyl)-3-phenylurea
CID 70181020

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2,2-dimethylpentyl)-3-phenylurea?
The IUPAC name of 1-(5-amino-2,2-dimethylpentyl)-3-phenylurea (CID 114149047) is 1-(5-amino-2,2-dimethylpentyl)-3-phenylurea.
What is the SMILES notation for 1-(5-amino-2,2-dimethylpentyl)-3-phenylurea?
The canonical SMILES for 1-(5-amino-2,2-dimethylpentyl)-3-phenylurea is CC(C)(CCCN)CNC(=O)Nc1ccccc1.
What is the InChIKey of 1-(5-amino-2,2-dimethylpentyl)-3-phenylurea?
The InChIKey is OYGMOKCGIIOIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(2,9-6-10-15)11-16-13(18)17-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11,15H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(5-amino-2,2-dimethylpentyl)-3-phenylurea?
1-(5-amino-2,2-dimethylpentyl)-3-phenylurea has a molecular weight of 249.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2,2-dimethylpentyl)-3-phenylurea is sourced from PubChem (CID 114149047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).