methyl N-[2-methyl-4-(2-methyl-5-oxopentan-2-yl)oxybutan-2-yl]carbamate

C13H25NO4 — CID 166658175

IUPACmethyl N-[2-methyl-4-(2-methyl-5-oxopentan-2-yl)oxybutan-2-yl]carbamate
SMILESCOC(=O)NC(C)(C)CCOC(C)(C)CCC=O
InChIInChI=1S/C13H25NO4/c1-12(2,14-11(16)17-5)8-10-18-13(3,4)7-6-9-15/h9H,6-8,10H2,1-5H3,(H,14,16)
InChIKeyWFNQLOCDQMADBE-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.29
Rot. Bonds8

About methyl N-[2-methyl-4-(2-methyl-5-oxopentan-2-yl)oxybutan-2-yl]carbamate

methyl N-[2-methyl-4-(2-methyl-5-oxopentan-2-yl)oxybutan-2-yl]carbamate (PubChem CID 166658175) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is methyl N-[2-methyl-4-(2-methyl-5-oxopentan-2-yl)oxybutan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-methyl-4-(2-methyl-5-oxopentan-2-yl)oxybutan-2-yl]carbamate
PubChem CID166658175
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Namemethyl N-[2-methyl-4-(2-methyl-5-oxopentan-2-yl)oxybutan-2-yl]carbamate
SMILESCOC(=O)NC(C)(C)CCOC(C)(C)CCC=O
InChIInChI=1S/C13H25NO4/c1-12(2,14-11(16)17-5)8-10-18-13(3,4)7-6-9-15/h9H,6-8,10H2,1-5H3,(H,14,16)
InChIKeyWFNQLOCDQMADBE-UHFFFAOYSA-N
XLogP2.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl N-[2-methyl-4-(2-methyl-5-oxopentan-2-yl)oxybutan-2-yl]carbamate 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

N-[2-methyl-4-(2-methyl-6-oxohexan-2-yl)oxybutan-2-yl]-2-[methyl(2-methylperoxyethyl)phosphanyl]acetamide
CID 139525382
N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]acetamide
CID 144960921
N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane
CID 144742441
methyl N-[4-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
CID 88863473
N-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]acetamide
CID 88555245
4-[2-methyl-4-(2-methylhept-6-en-2-yloxy)butan-2-yl]oxybutanal
CID 146246879
N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide
CID 139539922
1-[4-(4-iodo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-methylurea
CID 144955514
ethyl N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate
CID 122544664
tert-butyl N-[2-methyl-4-[2-methyl-5-[[3-methyl-3-[3-methyl-3-(propanoylamino)butoxy]butyl]amino]-5-oxopentan-2-yl]oxybutan-2-yl]carbamate
CID 170128014
4-(2-methylhexan-2-yloxy)butanal
CID 87079599
[5-(2-aminoethoxy)-2,5-dimethylhexan-2-yl]carbamic acid
CID 175166936

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-methyl-4-(2-methyl-5-oxopentan-2-yl)oxybutan-2-yl]carbamate?
The IUPAC name of methyl N-[2-methyl-4-(2-methyl-5-oxopentan-2-yl)oxybutan-2-yl]carbamate (CID 166658175) is methyl N-[2-methyl-4-(2-methyl-5-oxopentan-2-yl)oxybutan-2-yl]carbamate.
What is the SMILES notation for methyl N-[2-methyl-4-(2-methyl-5-oxopentan-2-yl)oxybutan-2-yl]carbamate?
The canonical SMILES for methyl N-[2-methyl-4-(2-methyl-5-oxopentan-2-yl)oxybutan-2-yl]carbamate is COC(=O)NC(C)(C)CCOC(C)(C)CCC=O.
What is the InChIKey of methyl N-[2-methyl-4-(2-methyl-5-oxopentan-2-yl)oxybutan-2-yl]carbamate?
The InChIKey is WFNQLOCDQMADBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-12(2,14-11(16)17-5)8-10-18-13(3,4)7-6-9-15/h9H,6-8,10H2,1-5H3,(H,14,16).
What are the key properties of methyl N-[2-methyl-4-(2-methyl-5-oxopentan-2-yl)oxybutan-2-yl]carbamate?
methyl N-[2-methyl-4-(2-methyl-5-oxopentan-2-yl)oxybutan-2-yl]carbamate has a molecular weight of 259.35 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-methyl-4-(2-methyl-5-oxopentan-2-yl)oxybutan-2-yl]carbamate is sourced from PubChem (CID 166658175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).