1-benzyl-3-(2-methylpropoxy)urea

C12H18N2O2 — CID 103829351

IUPAC1-benzyl-3-(2-methylpropoxy)urea
SMILESCC(C)CONC(=O)NCc1ccccc1
InChIInChI=1S/C12H18N2O2/c1-10(2)9-16-14-12(15)13-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,13,14,15)
InChIKeyLWBPBXZCEXWJKG-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.07
Rot. Bonds5

About 1-benzyl-3-(2-methylpropoxy)urea

1-benzyl-3-(2-methylpropoxy)urea (PubChem CID 103829351) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-benzyl-3-(2-methylpropoxy)urea.

Molecular Properties

Compound Name1-benzyl-3-(2-methylpropoxy)urea
PubChem CID103829351
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-benzyl-3-(2-methylpropoxy)urea
SMILESCC(C)CONC(=O)NCc1ccccc1
InChIInChI=1S/C12H18N2O2/c1-10(2)9-16-14-12(15)13-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,13,14,15)
InChIKeyLWBPBXZCEXWJKG-UHFFFAOYSA-N
XLogP2.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-(2-methoxyethoxy)urea
CID 110642709
2-methylpropyl N-[1-(benzylamino)-1-oxopropan-2-yl]carbamate
CID 123797558
methyl propanoate;2-methylpropyl N-benzylcarbamate
CID 67451217
1-benzyl-3-(2-phenoxyethoxy)urea
CID 110354986
ethyl N-(benzylcarbamoyl)carbamate
CID 2748727
(2S)-2-amino-N-(2-methylpropoxy)-2-phenylacetamide
CID 104898288
methyl (2S)-2-(benzylcarbamoylamino)-3-methylbutanoate
CID 2002081
2-methylpropyl (2R)-3-(benzylamino)-2-(methoxymethyl)-3-oxopropanoate
CID 141445219
1-benzyl-3-(2-hydroxypropyl)urea
CID 103604143
benzene;ethyl N-benzylcarbamate
CID 67715166
(2R)-N-benzyl-3-methoxy-2-methylpropanamide
CID 12051861
1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94035272

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-methylpropoxy)urea?
The IUPAC name of 1-benzyl-3-(2-methylpropoxy)urea (CID 103829351) is 1-benzyl-3-(2-methylpropoxy)urea.
What is the SMILES notation for 1-benzyl-3-(2-methylpropoxy)urea?
The canonical SMILES for 1-benzyl-3-(2-methylpropoxy)urea is CC(C)CONC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(2-methylpropoxy)urea?
The InChIKey is LWBPBXZCEXWJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10(2)9-16-14-12(15)13-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-benzyl-3-(2-methylpropoxy)urea?
1-benzyl-3-(2-methylpropoxy)urea has a molecular weight of 222.29 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-methylpropoxy)urea is sourced from PubChem (CID 103829351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).