[4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea

C15H25N3O — CID 103699485

IUPAC[4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea
SMILESCCC(C)(C)CNC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H25N3O/c1-5-15(3,4)10-17-11(2)12-6-8-13(9-7-12)18-14(16)19/h6-9,11,17H,5,10H2,1-4H3,(H3,16,18,19)
InChIKeyREQBYMNZVGFKPN-UHFFFAOYSA-N
MW263.39 g/mol
LogP3.26
Rot. Bonds6

About [4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea

[4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea (PubChem CID 103699485) has the molecular formula C15H25N3O and a molecular weight of 263.39 g/mol. Its IUPAC name is [4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea
PubChem CID103699485
Molecular FormulaC15H25N3O
Molecular Weight263.39 g/mol
Exact Mass263.20
IUPAC Name[4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea
SMILESCCC(C)(C)CNC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C15H25N3O/c1-5-15(3,4)10-17-11(2)12-6-8-13(9-7-12)18-14(16)19/h6-9,11,17H,5,10H2,1-4H3,(H3,16,18,19)
InChIKeyREQBYMNZVGFKPN-UHFFFAOYSA-N
XLogP3.26
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea 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

[4-[1-[[2-(hydroxymethyl)-2-methylbutyl]amino]ethyl]phenyl]urea
CID 81418585
[4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea
CID 43775240
[4-[1-(pentan-3-ylamino)ethyl]phenyl]urea
CID 43750016
[4-[1-(2-methylsulfanylpropylamino)ethyl]phenyl]urea
CID 113349040
[4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea
CID 43754835
[4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenyl]urea
CID 103903124
[4-[1-[(2-methyl-3-methylsulfanylpropyl)amino]ethyl]phenyl]urea
CID 63983873
[4-[1-[3-(diethylamino)propylamino]ethyl]phenyl]urea
CID 43763193
[4-[1-(1-ethylsulfanylpropan-2-ylamino)ethyl]phenyl]urea
CID 115725626
[4-[1-(2-phenylethylamino)ethyl]phenyl]urea
CID 43749979
2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine
CID 103460442
[4-[1-(methoxyamino)ethyl]phenyl]urea
CID 82706415

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea?
The IUPAC name of [4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea (CID 103699485) is [4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea?
The canonical SMILES for [4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea is CCC(C)(C)CNC(C)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea?
The InChIKey is REQBYMNZVGFKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-15(3,4)10-17-11(2)12-6-8-13(9-7-12)18-14(16)19/h6-9,11,17H,5,10H2,1-4H3,(H3,16,18,19).
What are the key properties of [4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea?
[4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea has a molecular weight of 263.39 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea is sourced from PubChem (CID 103699485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).