N-methyl-N-(2-methylpropyl)-16-oxooctadecanamide

C23H45NO2 — CID 156819631

IUPACN-methyl-N-(2-methylpropyl)-16-oxooctadecanamide
SMILESCCC(=O)CCCCCCCCCCCCCCC(=O)N(C)CC(C)C
InChIInChI=1S/C23H45NO2/c1-5-22(25)18-16-14-12-10-8-6-7-9-11-13-15-17-19-23(26)24(4)20-21(2)3/h21H,5-20H2,1-4H3
InChIKeyLJTVATVQTXLJOZ-UHFFFAOYSA-N
MW367.62 g/mol
LogP6.54
Rot. Bonds18

About N-methyl-N-(2-methylpropyl)-16-oxooctadecanamide

N-methyl-N-(2-methylpropyl)-16-oxooctadecanamide (PubChem CID 156819631) has the molecular formula C23H45NO2 and a molecular weight of 367.62 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-16-oxooctadecanamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-16-oxooctadecanamide
PubChem CID156819631
Molecular FormulaC23H45NO2
Molecular Weight367.62 g/mol
Exact Mass367.35
IUPAC NameN-methyl-N-(2-methylpropyl)-16-oxooctadecanamide
SMILESCCC(=O)CCCCCCCCCCCCCCC(=O)N(C)CC(C)C
InChIInChI=1S/C23H45NO2/c1-5-22(25)18-16-14-12-10-8-6-7-9-11-13-15-17-19-23(26)24(4)20-21(2)3/h21H,5-20H2,1-4H3
InChIKeyLJTVATVQTXLJOZ-UHFFFAOYSA-N
XLogP6.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-methyl-N-(2-methylpropyl)heptanamide
CID 43272143
N,17-dimethyl-N-(2-methylpropyl)-16-oxooctadecanamide
CID 169316878
N,11-dimethyl-N-(2-methylpropyl)-10-oxododecanamide
CID 166695144
N,5-dimethyl-N-(2-methylpropyl)hexanamide
CID 147805766
ethane;N-methyl-9-oxo-N-propylundecanamide
CID 170584314
4-amino-N-methyl-N-(2-methylpropyl)butanamide
CID 43272157
N-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 165153495
4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide
CID 155599481
N-methyl-N-(2-methylpropyl)-5-propan-2-yloxypentanamide
CID 164715578
N-(2-bromopropyl)-N-methyloctanamide
CID 80665103
methane;undecane-3,9-dione
CID 158816586
10-[methyl(propan-2-yl)amino]decan-3-one
CID 176577807

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)-16-oxooctadecanamide?
The IUPAC name of N-methyl-N-(2-methylpropyl)-16-oxooctadecanamide (CID 156819631) is N-methyl-N-(2-methylpropyl)-16-oxooctadecanamide.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-16-oxooctadecanamide?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-16-oxooctadecanamide is CCC(=O)CCCCCCCCCCCCCCC(=O)N(C)CC(C)C.
What is the InChIKey of N-methyl-N-(2-methylpropyl)-16-oxooctadecanamide?
The InChIKey is LJTVATVQTXLJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO2/c1-5-22(25)18-16-14-12-10-8-6-7-9-11-13-15-17-19-23(26)24(4)20-21(2)3/h21H,5-20H2,1-4H3.
What are the key properties of N-methyl-N-(2-methylpropyl)-16-oxooctadecanamide?
N-methyl-N-(2-methylpropyl)-16-oxooctadecanamide has a molecular weight of 367.62 g/mol, XLogP of 6.54, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-16-oxooctadecanamide is sourced from PubChem (CID 156819631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).