1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea

C15H24N2O2 — CID 33387256

IUPAC1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea
SMILESCCC[C@H](C)NC(=O)NCc1ccccc1COC
InChIInChI=1S/C15H24N2O2/c1-4-7-12(2)17-15(18)16-10-13-8-5-6-9-14(13)11-19-3/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H2,16,17,18)/t12-/m0/s1
InChIKeyLFUGVXFNTPDTGD-LBPRGKRZSA-N
MW264.37 g/mol
LogP2.82
Rot. Bonds7

About 1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea

1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea (PubChem CID 33387256) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea.

Molecular Properties

Compound Name1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea
PubChem CID33387256
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea
SMILESCCC[C@H](C)NC(=O)NCc1ccccc1COC
InChIInChI=1S/C15H24N2O2/c1-4-7-12(2)17-15(18)16-10-13-8-5-6-9-14(13)11-19-3/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H2,16,17,18)/t12-/m0/s1
InChIKeyLFUGVXFNTPDTGD-LBPRGKRZSA-N
XLogP2.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111337159
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 111454388
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110924335
N-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide
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1-(4-hydroxy-2-methylpentyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
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1-(2-ethyl-2-hydroxybutyl)-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110910121
1-[[2-(methoxymethyl)phenyl]methyl]-3-[phenyl(thiophen-2-yl)methyl]urea
CID 42954660
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
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CID 81311152
N-[[2-(methoxymethyl)phenyl]methyl]but-2-enamide
CID 112725954
2-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylbutanamide
CID 65229949
2-amino-4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]butanamide
CID 62473216

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea?
The IUPAC name of 1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea (CID 33387256) is 1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea.
What is the SMILES notation for 1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea?
The canonical SMILES for 1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea is CCC[C@H](C)NC(=O)NCc1ccccc1COC.
What is the InChIKey of 1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea?
The InChIKey is LFUGVXFNTPDTGD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-7-12(2)17-15(18)16-10-13-8-5-6-9-14(13)11-19-3/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H2,16,17,18)/t12-/m0/s1.
What are the key properties of 1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea?
1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea has a molecular weight of 264.37 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(methoxymethyl)phenyl]methyl]-3-[(2S)-pentan-2-yl]urea is sourced from PubChem (CID 33387256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).