methyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate

C15H29NO4 — CID 139703112

IUPACmethyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate
SMILESCOC(=O)CCCCCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO4/c1-15(2,3)20-14(18)16(4)12-10-8-6-7-9-11-13(17)19-5/h6-12H2,1-5H3
InChIKeyJOEFFSBHODMCEU-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.37
Rot. Bonds8

About methyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate

methyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate (PubChem CID 139703112) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is methyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate.

Molecular Properties

Compound Namemethyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate
PubChem CID139703112
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Namemethyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate
SMILESCOC(=O)CCCCCCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO4/c1-15(2,3)20-14(18)16(4)12-10-8-6-7-9-11-13(17)19-5/h6-12H2,1-5H3
InChIKeyJOEFFSBHODMCEU-UHFFFAOYSA-N
XLogP3.37
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 163409952
tert-butyl N-(9-bromononyl)-N-methylcarbamate
CID 166638484
butanoyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 166720638
11-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]undecanoic acid
CID 10500427
methyl 6-[(6-methoxy-6-oxohexyl)-methylamino]hexanoate
CID 157418406
tert-butyl N-[4-(dimethylamino)-4-oxobutyl]-N-methylcarbamate
CID 19757668
methyl 3-[2-[2-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;3-[2-[2-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 162097904
tert-butyl N-methyl-N-[4-(propan-2-ylamino)butyl]carbamate
CID 58244816
methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane
CID 142813889
2-[heptyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]acetic acid;methyl 2-[heptyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]acetate
CID 160842224
tert-butyl N-[3-(hexylamino)propyl]-N-methylcarbamate
CID 107242003
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426

Frequently Asked Questions

What is the IUPAC name of methyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate?
The IUPAC name of methyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate (CID 139703112) is methyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate.
What is the SMILES notation for methyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate?
The canonical SMILES for methyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate is COC(=O)CCCCCCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate?
The InChIKey is JOEFFSBHODMCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-15(2,3)20-14(18)16(4)12-10-8-6-7-9-11-13(17)19-5/h6-12H2,1-5H3.
What are the key properties of methyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate?
methyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate has a molecular weight of 287.40 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate is sourced from PubChem (CID 139703112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).