1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea

C15H22N2O2 — CID 103742697

IUPAC1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea
SMILESCC1(CNC(=O)NCc2ccccc2)CCOCC1
InChIInChI=1S/C15H22N2O2/c1-15(7-9-19-10-8-15)12-17-14(18)16-11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H2,16,17,18)
InChIKeyGVRSLESORKDMJK-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.30
Rot. Bonds4

About 1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea

1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea (PubChem CID 103742697) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea
PubChem CID103742697
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea
SMILESCC1(CNC(=O)NCc2ccccc2)CCOCC1
InChIInChI=1S/C15H22N2O2/c1-15(7-9-19-10-8-15)12-17-14(18)16-11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H2,16,17,18)
InChIKeyGVRSLESORKDMJK-UHFFFAOYSA-N
XLogP2.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103742541
1-benzyl-3-[(3-methylpiperidin-3-yl)methyl]urea
CID 107654302
N-benzyl-3-methoxyoxolane-3-carboxamide
CID 131015413
1-benzyl-3-morpholin-4-ylurea
CID 107653208
N-[(4-methyloxan-4-yl)methyl]-1H-indole-3-carboxamide
CID 103742649
1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea
CID 103742048
2-[4-(aminomethyl)oxan-4-yl]oxy-N-benzylacetamide
CID 65051814
5-bromo-N-[(4-methyloxan-4-yl)methyl]furan-2-carboxamide
CID 91914813
1-[(4-bromophenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 111106655
N-benzyl-4,4-dimethyl-1,3-oxazolidine-3-carboxamide
CID 110749603
3-[[(4-methyloxan-4-yl)methylamino]methyl]phenol
CID 103743628
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea?
The IUPAC name of 1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea (CID 103742697) is 1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea.
What is the SMILES notation for 1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea?
The canonical SMILES for 1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea is CC1(CNC(=O)NCc2ccccc2)CCOCC1.
What is the InChIKey of 1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea?
The InChIKey is GVRSLESORKDMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(7-9-19-10-8-15)12-17-14(18)16-11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H2,16,17,18).
What are the key properties of 1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea?
1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea has a molecular weight of 262.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea is sourced from PubChem (CID 103742697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).