[4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea

C14H21N3O — CID 43775240

IUPAC[4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea
SMILESCC(NCC1CCC1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H21N3O/c1-10(16-9-11-3-2-4-11)12-5-7-13(8-6-12)17-14(15)18/h5-8,10-11,16H,2-4,9H2,1H3,(H3,15,17,18)
InChIKeyMAZQKXKUQQJMTF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.63
Rot. Bonds5

About [4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea

[4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea (PubChem CID 43775240) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea
PubChem CID43775240
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea
SMILESCC(NCC1CCC1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H21N3O/c1-10(16-9-11-3-2-4-11)12-5-7-13(8-6-12)17-14(15)18/h5-8,10-11,16H,2-4,9H2,1H3,(H3,15,17,18)
InChIKeyMAZQKXKUQQJMTF-UHFFFAOYSA-N
XLogP2.63
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [4-[1-(cyclobutylmethylamino)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-(piperidin-3-ylmethylamino)ethyl]phenyl]urea
CID 80554120
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide
CID 94066099
tert-butyl N-[4-[1-(cyclopentylmethylamino)ethyl]phenyl]carbamate
CID 107253394
N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43298332
[4-[1-[(3-methoxycyclohexyl)amino]ethyl]phenyl]urea
CID 103904097
[4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenyl]urea
CID 103903124
[4-[1-[2-(oxolan-2-yl)ethylamino]ethyl]phenyl]urea
CID 61039249
[4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea
CID 103699485
[4-[1-(methoxyamino)ethyl]phenyl]urea
CID 82706415
(1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81352222
[4-[1-(2-methylsulfanylpropylamino)ethyl]phenyl]urea
CID 113349040
[4-[1-[2-(dimethylamino)ethylamino]ethyl]phenyl]urea
CID 43754835

Frequently Asked Questions

What is the IUPAC name of [4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea?
The IUPAC name of [4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea (CID 43775240) is [4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea?
The canonical SMILES for [4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea is CC(NCC1CCC1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea?
The InChIKey is MAZQKXKUQQJMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(16-9-11-3-2-4-11)12-5-7-13(8-6-12)17-14(15)18/h5-8,10-11,16H,2-4,9H2,1H3,(H3,15,17,18).
What are the key properties of [4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea?
[4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea has a molecular weight of 247.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea is sourced from PubChem (CID 43775240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).