1-[4-[(3-aminocyclobutyl)amino]phenyl]-3-methylurea

C12H18N4O — CID 80560889

IUPAC1-[4-[(3-aminocyclobutyl)amino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(NC2CC(N)C2)cc1
InChIInChI=1S/C12H18N4O/c1-14-12(17)16-10-4-2-9(3-5-10)15-11-6-8(13)7-11/h2-5,8,11,15H,6-7,13H2,1H3,(H2,14,16,17)
InChIKeyUMOORBYTNQHMTF-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.34
Rot. Bonds3

About 1-[4-[(3-aminocyclobutyl)amino]phenyl]-3-methylurea

1-[4-[(3-aminocyclobutyl)amino]phenyl]-3-methylurea (PubChem CID 80560889) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[4-[(3-aminocyclobutyl)amino]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-[(3-aminocyclobutyl)amino]phenyl]-3-methylurea
PubChem CID80560889
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[4-[(3-aminocyclobutyl)amino]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(NC2CC(N)C2)cc1
InChIInChI=1S/C12H18N4O/c1-14-12(17)16-10-4-2-9(3-5-10)15-11-6-8(13)7-11/h2-5,8,11,15H,6-7,13H2,1H3,(H2,14,16,17)
InChIKeyUMOORBYTNQHMTF-UHFFFAOYSA-N
XLogP1.34
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-aminocyclobutyl)amino]-N-methylbenzamide
CID 80559709
1-methyl-3-[4-[(3-methylcyclopentyl)amino]phenyl]urea
CID 64501930
1-methyl-3-[4-[(5-methylthiolan-3-yl)amino]phenyl]urea
CID 79942286
1-methyl-3-[4-[(1-methylpiperidin-4-yl)amino]phenyl]urea
CID 43744340
1-(3-aminocyclobutyl)-3-(4-methylphenyl)urea
CID 43596708
1-[4-(azepan-4-ylamino)phenyl]-3-methylurea
CID 103981461
2-amino-N-[4-(methylcarbamoylamino)phenyl]acetamide
CID 43710915
N-[3-[(3-aminocyclobutyl)amino]-4-methylphenyl]acetamide
CID 80561000
1-[4-[(2,3-dimethylcyclohexyl)amino]phenyl]-3-methylurea
CID 64761262
1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
CID 142308386
1-N-[4-(2-methoxyethoxy)phenyl]cyclobutane-1,3-diamine
CID 80560810
N-[4-[(3-methylcyclobutyl)amino]phenyl]cyclopropanecarboxamide
CID 104860025

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-aminocyclobutyl)amino]phenyl]-3-methylurea?
The IUPAC name of 1-[4-[(3-aminocyclobutyl)amino]phenyl]-3-methylurea (CID 80560889) is 1-[4-[(3-aminocyclobutyl)amino]phenyl]-3-methylurea.
What is the SMILES notation for 1-[4-[(3-aminocyclobutyl)amino]phenyl]-3-methylurea?
The canonical SMILES for 1-[4-[(3-aminocyclobutyl)amino]phenyl]-3-methylurea is CNC(=O)Nc1ccc(NC2CC(N)C2)cc1.
What is the InChIKey of 1-[4-[(3-aminocyclobutyl)amino]phenyl]-3-methylurea?
The InChIKey is UMOORBYTNQHMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-14-12(17)16-10-4-2-9(3-5-10)15-11-6-8(13)7-11/h2-5,8,11,15H,6-7,13H2,1H3,(H2,14,16,17).
What are the key properties of 1-[4-[(3-aminocyclobutyl)amino]phenyl]-3-methylurea?
1-[4-[(3-aminocyclobutyl)amino]phenyl]-3-methylurea has a molecular weight of 234.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-aminocyclobutyl)amino]phenyl]-3-methylurea is sourced from PubChem (CID 80560889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).