N-butyl-7-methyloctanamide

C13H27NO — CID 154028337

IUPACN-butyl-7-methyloctanamide
SMILESCCCCNC(=O)CCCCCC(C)C
InChIInChI=1S/C13H27NO/c1-4-5-11-14-13(15)10-8-6-7-9-12(2)3/h12H,4-11H2,1-3H3,(H,14,15)
InChIKeyGCCUAZSPYBQNNI-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.51
Rot. Bonds9

About N-butyl-7-methyloctanamide

N-butyl-7-methyloctanamide (PubChem CID 154028337) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-butyl-7-methyloctanamide.

Molecular Properties

Compound NameN-butyl-7-methyloctanamide
PubChem CID154028337
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-butyl-7-methyloctanamide
SMILESCCCCNC(=O)CCCCCC(C)C
InChIInChI=1S/C13H27NO/c1-4-5-11-14-13(15)10-8-6-7-9-12(2)3/h12H,4-11H2,1-3H3,(H,14,15)
InChIKeyGCCUAZSPYBQNNI-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-6-methylheptanamide
CID 141197249
ethane;N-(3-methylbutyl)octadecanamide
CID 172601405
N-(7-methyloctyl)-4-oxododecanamide
CID 165096838
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
12-(5-methylhexylamino)-12-oxododecanethioic S-acid
CID 156820065
3-(7-methyloctanoylamino)propanoic acid
CID 115729984
N-(2-aminoethyl)-7-methyloctanamide
CID 145373236
5-chloro-N-(5-methylhexyl)pentanamide
CID 115325090
7-hydroxy-N-octadecyloctadecanamide
CID 57160535
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
N-hexadecylhexanamide
CID 4953738

Frequently Asked Questions

What is the IUPAC name of N-butyl-7-methyloctanamide?
The IUPAC name of N-butyl-7-methyloctanamide (CID 154028337) is N-butyl-7-methyloctanamide.
What is the SMILES notation for N-butyl-7-methyloctanamide?
The canonical SMILES for N-butyl-7-methyloctanamide is CCCCNC(=O)CCCCCC(C)C.
What is the InChIKey of N-butyl-7-methyloctanamide?
The InChIKey is GCCUAZSPYBQNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-5-11-14-13(15)10-8-6-7-9-12(2)3/h12H,4-11H2,1-3H3,(H,14,15).
What are the key properties of N-butyl-7-methyloctanamide?
N-butyl-7-methyloctanamide has a molecular weight of 213.36 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-7-methyloctanamide is sourced from PubChem (CID 154028337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).