N,17-dimethyl-N-(2-methylpropyl)-16-oxooctadecanamide

C24H47NO2 — CID 169316878

IUPACN,17-dimethyl-N-(2-methylpropyl)-16-oxooctadecanamide
SMILESCC(C)CN(C)C(=O)CCCCCCCCCCCCCCC(=O)C(C)C
InChIInChI=1S/C24H47NO2/c1-21(2)20-25(5)24(27)19-17-15-13-11-9-7-6-8-10-12-14-16-18-23(26)22(3)4/h21-22H,6-20H2,1-5H3
InChIKeyKGRFLSUWTPJCTL-UHFFFAOYSA-N
MW381.65 g/mol
LogP6.79
Rot. Bonds18

About N,17-dimethyl-N-(2-methylpropyl)-16-oxooctadecanamide

N,17-dimethyl-N-(2-methylpropyl)-16-oxooctadecanamide (PubChem CID 169316878) has the molecular formula C24H47NO2 and a molecular weight of 381.65 g/mol. Its IUPAC name is N,17-dimethyl-N-(2-methylpropyl)-16-oxooctadecanamide.

Molecular Properties

Compound NameN,17-dimethyl-N-(2-methylpropyl)-16-oxooctadecanamide
PubChem CID169316878
Molecular FormulaC24H47NO2
Molecular Weight381.65 g/mol
Exact Mass381.36
IUPAC NameN,17-dimethyl-N-(2-methylpropyl)-16-oxooctadecanamide
SMILESCC(C)CN(C)C(=O)CCCCCCCCCCCCCCC(=O)C(C)C
InChIInChI=1S/C24H47NO2/c1-21(2)20-25(5)24(27)19-17-15-13-11-9-7-6-8-10-12-14-16-18-23(26)22(3)4/h21-22H,6-20H2,1-5H3
InChIKeyKGRFLSUWTPJCTL-UHFFFAOYSA-N
XLogP6.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.65
LogP ≤ 56.79
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

N,11-dimethyl-N-(2-methylpropyl)-10-oxododecanamide
CID 166695144
7-amino-N-methyl-N-(2-methylpropyl)heptanamide
CID 43272143
N,5-dimethyl-N-(2-methylpropyl)hexanamide
CID 147805766
N-methyl-N-(2-methylpropyl)-16-oxooctadecanamide
CID 156819631
4-amino-N-methyl-N-(2-methylpropyl)butanamide
CID 43272157
N-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 165153495
N-methyl-N-(2-methylpropyl)-5-propan-2-yloxypentanamide
CID 164715578
N,2-dimethyl-N-(9-methyl-8-oxodecyl)propanamide
CID 176576878
4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide
CID 155599481
5-hydroxy-N-(2-hydroxypropyl)-N-methylpentanamide
CID 79199467
N-(2-bromopropyl)-N-methyloctanamide
CID 80665103
9-methyl-8-oxodecanamide
CID 168891746

Frequently Asked Questions

What is the IUPAC name of N,17-dimethyl-N-(2-methylpropyl)-16-oxooctadecanamide?
The IUPAC name of N,17-dimethyl-N-(2-methylpropyl)-16-oxooctadecanamide (CID 169316878) is N,17-dimethyl-N-(2-methylpropyl)-16-oxooctadecanamide.
What is the SMILES notation for N,17-dimethyl-N-(2-methylpropyl)-16-oxooctadecanamide?
The canonical SMILES for N,17-dimethyl-N-(2-methylpropyl)-16-oxooctadecanamide is CC(C)CN(C)C(=O)CCCCCCCCCCCCCCC(=O)C(C)C.
What is the InChIKey of N,17-dimethyl-N-(2-methylpropyl)-16-oxooctadecanamide?
The InChIKey is KGRFLSUWTPJCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO2/c1-21(2)20-25(5)24(27)19-17-15-13-11-9-7-6-8-10-12-14-16-18-23(26)22(3)4/h21-22H,6-20H2,1-5H3.
What are the key properties of N,17-dimethyl-N-(2-methylpropyl)-16-oxooctadecanamide?
N,17-dimethyl-N-(2-methylpropyl)-16-oxooctadecanamide has a molecular weight of 381.65 g/mol, XLogP of 6.79, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,17-dimethyl-N-(2-methylpropyl)-16-oxooctadecanamide is sourced from PubChem (CID 169316878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).