N,N-dibutyl-7-methyloctanamide

C17H35NO — CID 170848963

IUPACN,N-dibutyl-7-methyloctanamide
SMILESCCCCN(CCCC)C(=O)CCCCCC(C)C
InChIInChI=1S/C17H35NO/c1-5-7-14-18(15-8-6-2)17(19)13-11-9-10-12-16(3)4/h16H,5-15H2,1-4H3
InChIKeyIFWASBCUDUSWLD-UHFFFAOYSA-N
MW269.47 g/mol
LogP5.02
Rot. Bonds12

About N,N-dibutyl-7-methyloctanamide

N,N-dibutyl-7-methyloctanamide (PubChem CID 170848963) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N,N-dibutyl-7-methyloctanamide.

Molecular Properties

Compound NameN,N-dibutyl-7-methyloctanamide
PubChem CID170848963
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN,N-dibutyl-7-methyloctanamide
SMILESCCCCN(CCCC)C(=O)CCCCCC(C)C
InChIInChI=1S/C17H35NO/c1-5-7-14-18(15-8-6-2)17(19)13-11-9-10-12-16(3)4/h16H,5-15H2,1-4H3
InChIKeyIFWASBCUDUSWLD-UHFFFAOYSA-N
XLogP5.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.47
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-7-methyloctanamide?
The IUPAC name of N,N-dibutyl-7-methyloctanamide (CID 170848963) is N,N-dibutyl-7-methyloctanamide.
What is the SMILES notation for N,N-dibutyl-7-methyloctanamide?
The canonical SMILES for N,N-dibutyl-7-methyloctanamide is CCCCN(CCCC)C(=O)CCCCCC(C)C.
What is the InChIKey of N,N-dibutyl-7-methyloctanamide?
The InChIKey is IFWASBCUDUSWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-5-7-14-18(15-8-6-2)17(19)13-11-9-10-12-16(3)4/h16H,5-15H2,1-4H3.
What are the key properties of N,N-dibutyl-7-methyloctanamide?
N,N-dibutyl-7-methyloctanamide has a molecular weight of 269.47 g/mol, XLogP of 5.02, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-7-methyloctanamide is sourced from PubChem (CID 170848963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).