methyl N-methyl-N-[(4R)-octan-4-yl]carbamate

C11H23NO2 — CID 89278791

IUPACmethyl N-methyl-N-[(4R)-octan-4-yl]carbamate
SMILESCCCC[C@@H](CCC)N(C)C(=O)OC
InChIInChI=1S/C11H23NO2/c1-5-7-9-10(8-6-2)12(3)11(13)14-4/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyRJYURHFPTCLXJU-SNVBAGLBSA-N
MW201.31 g/mol
LogP3.04
Rot. Bonds6

About methyl N-methyl-N-[(4R)-octan-4-yl]carbamate

methyl N-methyl-N-[(4R)-octan-4-yl]carbamate (PubChem CID 89278791) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl N-methyl-N-[(4R)-octan-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[(4R)-octan-4-yl]carbamate
PubChem CID89278791
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl N-methyl-N-[(4R)-octan-4-yl]carbamate
SMILESCCCC[C@@H](CCC)N(C)C(=O)OC
InChIInChI=1S/C11H23NO2/c1-5-7-9-10(8-6-2)12(3)11(13)14-4/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyRJYURHFPTCLXJU-SNVBAGLBSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dimethyl-N,N'-di(tetradecan-6-yl)propanediamide
CID 88536227
methyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate
CID 115898188
1-[methyl(octan-4-yl)amino]butan-1-ol
CID 88539765
methyl 2-[acetyl(methyl)amino]hexanoate
CID 23279435
methyl 2-methyl-3-propylheptanoate
CID 123579979
methyl 4-(dimethylamino)heptanoate
CID 116910261
methyl N-butyl-N-hydroxycarbamate
CID 87729012
methyl 2-[[(3R)-hexan-3-yl]-methylamino]acetate
CID 90862212
methyl 2-(2,2-dimethylhydrazinyl)hexanoate
CID 103260976
N-octan-4-yl-N-propylpropanamide
CID 142120494
3-(dimethylamino)heptanoic acid
CID 64527773
methyl N-hexyl-N-methylcarbamate
CID 14923771

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-[(4R)-octan-4-yl]carbamate?
The IUPAC name of methyl N-methyl-N-[(4R)-octan-4-yl]carbamate (CID 89278791) is methyl N-methyl-N-[(4R)-octan-4-yl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[(4R)-octan-4-yl]carbamate?
The canonical SMILES for methyl N-methyl-N-[(4R)-octan-4-yl]carbamate is CCCC[C@@H](CCC)N(C)C(=O)OC.
What is the InChIKey of methyl N-methyl-N-[(4R)-octan-4-yl]carbamate?
The InChIKey is RJYURHFPTCLXJU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-7-9-10(8-6-2)12(3)11(13)14-4/h10H,5-9H2,1-4H3/t10-/m1/s1.
What are the key properties of methyl N-methyl-N-[(4R)-octan-4-yl]carbamate?
methyl N-methyl-N-[(4R)-octan-4-yl]carbamate has a molecular weight of 201.31 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[(4R)-octan-4-yl]carbamate is sourced from PubChem (CID 89278791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).