7-methyl-N,N-di(propan-2-yl)octanamide

C15H31NO — CID 170848962

IUPAC7-methyl-N,N-di(propan-2-yl)octanamide
SMILESCC(C)CCCCCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C15H31NO/c1-12(2)10-8-7-9-11-15(17)16(13(3)4)14(5)6/h12-14H,7-11H2,1-6H3
InChIKeyCRPKIOHDVXGVTF-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.24
Rot. Bonds8

About 7-methyl-N,N-di(propan-2-yl)octanamide

7-methyl-N,N-di(propan-2-yl)octanamide (PubChem CID 170848962) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 7-methyl-N,N-di(propan-2-yl)octanamide.

Molecular Properties

Compound Name7-methyl-N,N-di(propan-2-yl)octanamide
PubChem CID170848962
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name7-methyl-N,N-di(propan-2-yl)octanamide
SMILESCC(C)CCCCCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C15H31NO/c1-12(2)10-8-7-9-11-15(17)16(13(3)4)14(5)6/h12-14H,7-11H2,1-6H3
InChIKeyCRPKIOHDVXGVTF-UHFFFAOYSA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-methyl-N,N-di(propan-2-yl)octanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N,N-di(propan-2-yl)octanamide?
The IUPAC name of 7-methyl-N,N-di(propan-2-yl)octanamide (CID 170848962) is 7-methyl-N,N-di(propan-2-yl)octanamide.
What is the SMILES notation for 7-methyl-N,N-di(propan-2-yl)octanamide?
The canonical SMILES for 7-methyl-N,N-di(propan-2-yl)octanamide is CC(C)CCCCCC(=O)N(C(C)C)C(C)C.
What is the InChIKey of 7-methyl-N,N-di(propan-2-yl)octanamide?
The InChIKey is CRPKIOHDVXGVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-12(2)10-8-7-9-11-15(17)16(13(3)4)14(5)6/h12-14H,7-11H2,1-6H3.
What are the key properties of 7-methyl-N,N-di(propan-2-yl)octanamide?
7-methyl-N,N-di(propan-2-yl)octanamide has a molecular weight of 241.42 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N,N-di(propan-2-yl)octanamide is sourced from PubChem (CID 170848962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).