1-[2-[benzyl(methyl)amino]phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea

C20H25N3O2 — CID 111437683

IUPAC1-[2-[benzyl(methyl)amino]phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCN(Cc1ccccc1)c1ccccc1NC(=O)NCC1(O)CCC1
InChIInChI=1S/C20H25N3O2/c1-23(14-16-8-3-2-4-9-16)18-11-6-5-10-17(18)22-19(24)21-15-20(25)12-7-13-20/h2-6,8-11,25H,7,12-15H2,1H3,(H2,21,22,24)
InChIKeyUCEHPLNLZGJZTA-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.36
Rot. Bonds6

About 1-[2-[benzyl(methyl)amino]phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea

1-[2-[benzyl(methyl)amino]phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea (PubChem CID 111437683) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[2-[benzyl(methyl)amino]phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-[2-[benzyl(methyl)amino]phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
PubChem CID111437683
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[2-[benzyl(methyl)amino]phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCN(Cc1ccccc1)c1ccccc1NC(=O)NCC1(O)CCC1
InChIInChI=1S/C20H25N3O2/c1-23(14-16-8-3-2-4-9-16)18-11-6-5-10-17(18)22-19(24)21-15-20(25)12-7-13-20/h2-6,8-11,25H,7,12-15H2,1H3,(H2,21,22,24)
InChIKeyUCEHPLNLZGJZTA-UHFFFAOYSA-N
XLogP3.36
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 111428717
1-(2-fluorophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619728
1-[2-(ethoxymethyl)phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437639
1-benzyl-3-[2-(dimethylamino)phenyl]urea
CID 47202175
4-[[2-[benzyl(methyl)amino]phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122078232
N-[2-[benzyl(methyl)amino]phenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119864866
1-(3-fluoro-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111521389
1-[2-(dimethylamino)-3-phenylpropyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103915
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438029
1-[2-[benzyl(methyl)amino]phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 60603780
1-(3-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103751
2-benzyl-3-[(1-hydroxycyclobutyl)methyl]-1,1-dimethylguanidine;hydroiodide
CID 111801691

Frequently Asked Questions

What is the IUPAC name of 1-[2-[benzyl(methyl)amino]phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The IUPAC name of 1-[2-[benzyl(methyl)amino]phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea (CID 111437683) is 1-[2-[benzyl(methyl)amino]phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-[2-[benzyl(methyl)amino]phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The canonical SMILES for 1-[2-[benzyl(methyl)amino]phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea is CN(Cc1ccccc1)c1ccccc1NC(=O)NCC1(O)CCC1.
What is the InChIKey of 1-[2-[benzyl(methyl)amino]phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The InChIKey is UCEHPLNLZGJZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-23(14-16-8-3-2-4-9-16)18-11-6-5-10-17(18)22-19(24)21-15-20(25)12-7-13-20/h2-6,8-11,25H,7,12-15H2,1H3,(H2,21,22,24).
What are the key properties of 1-[2-[benzyl(methyl)amino]phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
1-[2-[benzyl(methyl)amino]phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea has a molecular weight of 339.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[benzyl(methyl)amino]phenyl]-3-[(1-hydroxycyclobutyl)methyl]urea is sourced from PubChem (CID 111437683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).