N-hexyl-7-methyl-6-oxooctanamide

C15H29NO2 — CID 145408132

IUPACN-hexyl-7-methyl-6-oxooctanamide
SMILESCCCCCCNC(=O)CCCCC(=O)C(C)C
InChIInChI=1S/C15H29NO2/c1-4-5-6-9-12-16-15(18)11-8-7-10-14(17)13(2)3/h13H,4-12H2,1-3H3,(H,16,18)
InChIKeyQTACORDQZCCPKW-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.47
Rot. Bonds11

About N-hexyl-7-methyl-6-oxooctanamide

N-hexyl-7-methyl-6-oxooctanamide (PubChem CID 145408132) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-hexyl-7-methyl-6-oxooctanamide.

Molecular Properties

Compound NameN-hexyl-7-methyl-6-oxooctanamide
PubChem CID145408132
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-hexyl-7-methyl-6-oxooctanamide
SMILESCCCCCCNC(=O)CCCCC(=O)C(C)C
InChIInChI=1S/C15H29NO2/c1-4-5-6-9-12-16-15(18)11-8-7-10-14(17)13(2)3/h13H,4-12H2,1-3H3,(H,16,18)
InChIKeyQTACORDQZCCPKW-UHFFFAOYSA-N
XLogP3.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide
CID 170246304
7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen
CID 145408102
N-nonyltridecanamide
CID 154228217
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703

Frequently Asked Questions

What is the IUPAC name of N-hexyl-7-methyl-6-oxooctanamide?
The IUPAC name of N-hexyl-7-methyl-6-oxooctanamide (CID 145408132) is N-hexyl-7-methyl-6-oxooctanamide.
What is the SMILES notation for N-hexyl-7-methyl-6-oxooctanamide?
The canonical SMILES for N-hexyl-7-methyl-6-oxooctanamide is CCCCCCNC(=O)CCCCC(=O)C(C)C.
What is the InChIKey of N-hexyl-7-methyl-6-oxooctanamide?
The InChIKey is QTACORDQZCCPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-5-6-9-12-16-15(18)11-8-7-10-14(17)13(2)3/h13H,4-12H2,1-3H3,(H,16,18).
What are the key properties of N-hexyl-7-methyl-6-oxooctanamide?
N-hexyl-7-methyl-6-oxooctanamide has a molecular weight of 255.40 g/mol, XLogP of 3.47, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-7-methyl-6-oxooctanamide is sourced from PubChem (CID 145408132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).