N-methyl-N-octylheptacosanamide

C36H73NO — CID 87394998

IUPACN-methyl-N-octylheptacosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(C)CCCCCCCC
InChIInChI=1S/C36H73NO/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36(38)37(3)35-33-31-11-9-7-5-2/h4-35H2,1-3H3
InChIKeyITBYGZSOMRANCX-UHFFFAOYSA-N
MW535.99 g/mol
LogP12.58
Rot. Bonds32

About N-methyl-N-octylheptacosanamide

N-methyl-N-octylheptacosanamide (PubChem CID 87394998) has the molecular formula C36H73NO and a molecular weight of 535.99 g/mol. Its IUPAC name is N-methyl-N-octylheptacosanamide.

Molecular Properties

Compound NameN-methyl-N-octylheptacosanamide
PubChem CID87394998
Molecular FormulaC36H73NO
Molecular Weight535.99 g/mol
Exact Mass535.57
IUPAC NameN-methyl-N-octylheptacosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(C)CCCCCCCC
InChIInChI=1S/C36H73NO/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36(38)37(3)35-33-31-11-9-7-5-2/h4-35H2,1-3H3
InChIKeyITBYGZSOMRANCX-UHFFFAOYSA-N
XLogP12.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds32
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.99
LogP ≤ 512.58
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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Related Compounds

N-methyl-N-octylnonanamide
CID 140654825
10-[methyl(pentyl)amino]-10-oxodecanoic acid
CID 143390074
N-(5-hydroxypentyl)-N-methyldodecanamide
CID 107201995
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N-(3-hydroxypropyl)-N-methyldecanamide
CID 59366231
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
4-[heptanoyl(methyl)amino]butanoic acid
CID 43172442
4-hydroxy-N-methyl-N-pentylbutanamide
CID 79203931
N-(5-hydroxyhexyl)-N-methyloctanamide
CID 143646438
CID 88685642
CID 88685642
sodium 3-[methyl(tetradecanoyl)amino]propanoic acid
CID 22614079

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-octylheptacosanamide?
The IUPAC name of N-methyl-N-octylheptacosanamide (CID 87394998) is N-methyl-N-octylheptacosanamide.
What is the SMILES notation for N-methyl-N-octylheptacosanamide?
The canonical SMILES for N-methyl-N-octylheptacosanamide is CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N(C)CCCCCCCC.
What is the InChIKey of N-methyl-N-octylheptacosanamide?
The InChIKey is ITBYGZSOMRANCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H73NO/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36(38)37(3)35-33-31-11-9-7-5-2/h4-35H2,1-3H3.
What are the key properties of N-methyl-N-octylheptacosanamide?
N-methyl-N-octylheptacosanamide has a molecular weight of 535.99 g/mol, XLogP of 12.58, 32 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-octylheptacosanamide is sourced from PubChem (CID 87394998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).