N-[2-methyl-4-(2-methyl-6-oxohexan-2-yl)oxybutan-2-yl]-2-[methyl(2-methylperoxyethyl)phosphanyl]acetamide

C18H36NO5P — CID 139525382

IUPACN-[2-methyl-4-(2-methyl-6-oxohexan-2-yl)oxybutan-2-yl]-2-[methyl(2-methylperoxyethyl)phosphanyl]acetamide
SMILESCOOCCP(C)CC(=O)NC(C)(C)CCOC(C)(C)CCCC=O
InChIInChI=1S/C18H36NO5P/c1-17(2,10-12-23-18(3,4)9-7-8-11-20)19-16(21)15-25(6)14-13-24-22-5/h11H,7-10,12-15H2,1-6H3,(H,19,21)
InChIKeyPTPYKNFFUSIRKP-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.13
Rot. Bonds15

About N-[2-methyl-4-(2-methyl-6-oxohexan-2-yl)oxybutan-2-yl]-2-[methyl(2-methylperoxyethyl)phosphanyl]acetamide

N-[2-methyl-4-(2-methyl-6-oxohexan-2-yl)oxybutan-2-yl]-2-[methyl(2-methylperoxyethyl)phosphanyl]acetamide (PubChem CID 139525382) has the molecular formula C18H36NO5P and a molecular weight of 377.46 g/mol. Its IUPAC name is N-[2-methyl-4-(2-methyl-6-oxohexan-2-yl)oxybutan-2-yl]-2-[methyl(2-methylperoxyethyl)phosphanyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-4-(2-methyl-6-oxohexan-2-yl)oxybutan-2-yl]-2-[methyl(2-methylperoxyethyl)phosphanyl]acetamide
PubChem CID139525382
Molecular FormulaC18H36NO5P
Molecular Weight377.46 g/mol
Exact Mass377.23
IUPAC NameN-[2-methyl-4-(2-methyl-6-oxohexan-2-yl)oxybutan-2-yl]-2-[methyl(2-methylperoxyethyl)phosphanyl]acetamide
SMILESCOOCCP(C)CC(=O)NC(C)(C)CCOC(C)(C)CCCC=O
InChIInChI=1S/C18H36NO5P/c1-17(2,10-12-23-18(3,4)9-7-8-11-20)19-16(21)15-25(6)14-13-24-22-5/h11H,7-10,12-15H2,1-6H3,(H,19,21)
InChIKeyPTPYKNFFUSIRKP-UHFFFAOYSA-N
XLogP3.13
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[2-methyl-4-(2-methyl-6-oxohexan-2-yl)oxybutan-2-yl]-2-[methyl(2-methylperoxyethyl)phosphanyl]acetamide 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

methyl N-[2-methyl-4-(2-methyl-5-oxopentan-2-yl)oxybutan-2-yl]carbamate
CID 166658175
4-[2-methyl-4-(2-methylhept-6-en-2-yloxy)butan-2-yl]oxybutanal
CID 146246879
4-(2-methylhexan-2-yloxy)butanal
CID 87079599
4-methylperoxybutanal
CID 175414440
5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic acid
CID 90800865
[2-hydroxy-3-[3-methyl-3-[3-methyl-3-(propanoylamino)butoxy]butoxy]propyl]-trimethylazanium
CID 89209628
N-[4-(4-butoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-2-(3-butoxy-3-methylbutoxy)acetamide
CID 143784438
N-[4-(4-bromo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]pent-4-ynamide
CID 145419732
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
N-[4-(4-iodo-2,4-dimethylpentan-2-yl)oxy-2-methylbutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 170276011
N-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]acetamide
CID 88555245

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(2-methyl-6-oxohexan-2-yl)oxybutan-2-yl]-2-[methyl(2-methylperoxyethyl)phosphanyl]acetamide?
The IUPAC name of N-[2-methyl-4-(2-methyl-6-oxohexan-2-yl)oxybutan-2-yl]-2-[methyl(2-methylperoxyethyl)phosphanyl]acetamide (CID 139525382) is N-[2-methyl-4-(2-methyl-6-oxohexan-2-yl)oxybutan-2-yl]-2-[methyl(2-methylperoxyethyl)phosphanyl]acetamide.
What is the SMILES notation for N-[2-methyl-4-(2-methyl-6-oxohexan-2-yl)oxybutan-2-yl]-2-[methyl(2-methylperoxyethyl)phosphanyl]acetamide?
The canonical SMILES for N-[2-methyl-4-(2-methyl-6-oxohexan-2-yl)oxybutan-2-yl]-2-[methyl(2-methylperoxyethyl)phosphanyl]acetamide is COOCCP(C)CC(=O)NC(C)(C)CCOC(C)(C)CCCC=O.
What is the InChIKey of N-[2-methyl-4-(2-methyl-6-oxohexan-2-yl)oxybutan-2-yl]-2-[methyl(2-methylperoxyethyl)phosphanyl]acetamide?
The InChIKey is PTPYKNFFUSIRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36NO5P/c1-17(2,10-12-23-18(3,4)9-7-8-11-20)19-16(21)15-25(6)14-13-24-22-5/h11H,7-10,12-15H2,1-6H3,(H,19,21).
What are the key properties of N-[2-methyl-4-(2-methyl-6-oxohexan-2-yl)oxybutan-2-yl]-2-[methyl(2-methylperoxyethyl)phosphanyl]acetamide?
N-[2-methyl-4-(2-methyl-6-oxohexan-2-yl)oxybutan-2-yl]-2-[methyl(2-methylperoxyethyl)phosphanyl]acetamide has a molecular weight of 377.46 g/mol, XLogP of 3.13, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(2-methyl-6-oxohexan-2-yl)oxybutan-2-yl]-2-[methyl(2-methylperoxyethyl)phosphanyl]acetamide is sourced from PubChem (CID 139525382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).