[1-methoxy-1-(2-methylphenyl)hexan-2-yl] carbamate

C15H23NO3 — CID 123697501

IUPAC[1-methoxy-1-(2-methylphenyl)hexan-2-yl] carbamate
SMILESCCCCC(OC(N)=O)C(OC)c1ccccc1C
InChIInChI=1S/C15H23NO3/c1-4-5-10-13(19-15(16)17)14(18-3)12-9-7-6-8-11(12)2/h6-9,13-14H,4-5,10H2,1-3H3,(H2,16,17)
InChIKeyZRTUGJGCBNBFGF-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.34
Rot. Bonds7

About [1-methoxy-1-(2-methylphenyl)hexan-2-yl] carbamate

[1-methoxy-1-(2-methylphenyl)hexan-2-yl] carbamate (PubChem CID 123697501) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [1-methoxy-1-(2-methylphenyl)hexan-2-yl] carbamate.

Molecular Properties

Compound Name[1-methoxy-1-(2-methylphenyl)hexan-2-yl] carbamate
PubChem CID123697501
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[1-methoxy-1-(2-methylphenyl)hexan-2-yl] carbamate
SMILESCCCCC(OC(N)=O)C(OC)c1ccccc1C
InChIInChI=1S/C15H23NO3/c1-4-5-10-13(19-15(16)17)14(18-3)12-9-7-6-8-11(12)2/h6-9,13-14H,4-5,10H2,1-3H3,(H2,16,17)
InChIKeyZRTUGJGCBNBFGF-UHFFFAOYSA-N
XLogP3.34
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-hydroxy-1-(2-methylphenyl)butan-2-yl] carbamate
CID 123953275
[2-methoxy-1-(2-methylphenyl)propyl] carbamate
CID 123675693
[(1S,2S)-1-(2-iodophenyl)-1-methoxyhexan-2-yl] 2-cyclopropylacetate
CID 148885650
[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-propylcarbamate
CID 123214058
[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-hexan-3-ylcarbamate
CID 123694763
ethyl 2-(2-methylphenyl)-2-methylsulfanylacetate
CID 12946319
butyl 2-fluoro-2-(2-methylphenyl)acetate
CID 168864548
[2-ethyl-1-(2-methylphenyl)hexyl]hydrazine
CID 105286043
CID 21267009
CID 21267009
dimethyl 2-(2-methylphenyl)propanedioate
CID 11276084
2-heptylundecyl 2-(2-methylphenyl)propanoate
CID 140794907
3-ethoxy-2-(2-methylphenyl)-3-oxopropanoic acid
CID 103974778

Frequently Asked Questions

What is the IUPAC name of [1-methoxy-1-(2-methylphenyl)hexan-2-yl] carbamate?
The IUPAC name of [1-methoxy-1-(2-methylphenyl)hexan-2-yl] carbamate (CID 123697501) is [1-methoxy-1-(2-methylphenyl)hexan-2-yl] carbamate.
What is the SMILES notation for [1-methoxy-1-(2-methylphenyl)hexan-2-yl] carbamate?
The canonical SMILES for [1-methoxy-1-(2-methylphenyl)hexan-2-yl] carbamate is CCCCC(OC(N)=O)C(OC)c1ccccc1C.
What is the InChIKey of [1-methoxy-1-(2-methylphenyl)hexan-2-yl] carbamate?
The InChIKey is ZRTUGJGCBNBFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-5-10-13(19-15(16)17)14(18-3)12-9-7-6-8-11(12)2/h6-9,13-14H,4-5,10H2,1-3H3,(H2,16,17).
What are the key properties of [1-methoxy-1-(2-methylphenyl)hexan-2-yl] carbamate?
[1-methoxy-1-(2-methylphenyl)hexan-2-yl] carbamate has a molecular weight of 265.35 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methoxy-1-(2-methylphenyl)hexan-2-yl] carbamate is sourced from PubChem (CID 123697501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).