3-methyl-N-(10-oxoundecyl)butanamide

C16H31NO2 — CID 167541538

IUPAC3-methyl-N-(10-oxoundecyl)butanamide
SMILESCC(=O)CCCCCCCCCNC(=O)CC(C)C
InChIInChI=1S/C16H31NO2/c1-14(2)13-16(19)17-12-10-8-6-4-5-7-9-11-15(3)18/h14H,4-13H2,1-3H3,(H,17,19)
InChIKeyUTHDGDOSFHPOKL-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.86
Rot. Bonds12

About 3-methyl-N-(10-oxoundecyl)butanamide

3-methyl-N-(10-oxoundecyl)butanamide (PubChem CID 167541538) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-methyl-N-(10-oxoundecyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(10-oxoundecyl)butanamide
PubChem CID167541538
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name3-methyl-N-(10-oxoundecyl)butanamide
SMILESCC(=O)CCCCCCCCCNC(=O)CC(C)C
InChIInChI=1S/C16H31NO2/c1-14(2)13-16(19)17-12-10-8-6-4-5-7-9-11-15(3)18/h14H,4-13H2,1-3H3,(H,17,19)
InChIKeyUTHDGDOSFHPOKL-UHFFFAOYSA-N
XLogP3.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-N-(10-oxoundecyl)butanamide 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

3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
3-methyl-N-[6-[2-(3-oxobutoxy)ethoxy]hexyl]butanamide
CID 154642812
7-methyl-6-oxo-N-(6-oxoheptyl)octanamide
CID 138632671
N-(7-methyl-6-oxooctyl)-6-oxoheptanamide
CID 129055878
N-(12-oxotridecyl)propanamide
CID 171540592
N-[3-(ethylamino)propyl]-9-(3-methylbutanoylamino)nonanamide;propane
CID 168958672
N-[2-(3-methylbutanoylamino)ethyl]dodecanamide
CID 90261922
N-(8-oxononyl)acetamide
CID 58114719
ethane;N-(6-oxoheptyl)butanamide
CID 143878068
N-(10-oxoundecyl)dodecanamide
CID 171771299
N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane
CID 145408136
3-methyl-4-oxo-4-(6-oxoheptylamino)butanoic acid
CID 129183093

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(10-oxoundecyl)butanamide?
The IUPAC name of 3-methyl-N-(10-oxoundecyl)butanamide (CID 167541538) is 3-methyl-N-(10-oxoundecyl)butanamide.
What is the SMILES notation for 3-methyl-N-(10-oxoundecyl)butanamide?
The canonical SMILES for 3-methyl-N-(10-oxoundecyl)butanamide is CC(=O)CCCCCCCCCNC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-(10-oxoundecyl)butanamide?
The InChIKey is UTHDGDOSFHPOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-14(2)13-16(19)17-12-10-8-6-4-5-7-9-11-15(3)18/h14H,4-13H2,1-3H3,(H,17,19).
What are the key properties of 3-methyl-N-(10-oxoundecyl)butanamide?
3-methyl-N-(10-oxoundecyl)butanamide has a molecular weight of 269.43 g/mol, XLogP of 3.86, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(10-oxoundecyl)butanamide is sourced from PubChem (CID 167541538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).