N-(2-amino-4-methylpentyl)dodecanamide

C18H38N2O — CID 107158867

IUPACN-(2-amino-4-methylpentyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(N)CC(C)C
InChIInChI=1S/C18H38N2O/c1-4-5-6-7-8-9-10-11-12-13-18(21)20-15-17(19)14-16(2)3/h16-17H,4-15,19H2,1-3H3,(H,20,21)
InChIKeyMYEPADGQICYBME-UHFFFAOYSA-N
MW298.51 g/mol
LogP4.40
Rot. Bonds14

About N-(2-amino-4-methylpentyl)dodecanamide

N-(2-amino-4-methylpentyl)dodecanamide (PubChem CID 107158867) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is N-(2-amino-4-methylpentyl)dodecanamide.

Molecular Properties

Compound NameN-(2-amino-4-methylpentyl)dodecanamide
PubChem CID107158867
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC NameN-(2-amino-4-methylpentyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(N)CC(C)C
InChIInChI=1S/C18H38N2O/c1-4-5-6-7-8-9-10-11-12-13-18(21)20-15-17(19)14-16(2)3/h16-17H,4-15,19H2,1-3H3,(H,20,21)
InChIKeyMYEPADGQICYBME-UHFFFAOYSA-N
XLogP4.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminopropyl)octadecanamide
CID 86003506
N-(2-amino-4-hydroxybutyl)dodecanamide
CID 54436170
N-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
5-methyl-3-[(octanoylamino)methyl]hexanoic acid
CID 65492458
N-(2-aminopentyl)pentanamide
CID 115737691
N-(3-amino-2-methyl-3-sulfanylidenepropyl)dodecanamide
CID 65450102
N-(2-amino-3-ethylpentyl)hexanamide
CID 106285983
N-(2-chloro-3-methylbutyl)heptanamide
CID 114754075
N-(2-methylpentyl)hexanamide
CID 173325003
N-(2-hydroxypropyl)dodecanamide;phosphoric acid
CID 175492996
N-(2-bromo-3-ethylpentyl)decanamide
CID 106288042

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylpentyl)dodecanamide?
The IUPAC name of N-(2-amino-4-methylpentyl)dodecanamide (CID 107158867) is N-(2-amino-4-methylpentyl)dodecanamide.
What is the SMILES notation for N-(2-amino-4-methylpentyl)dodecanamide?
The canonical SMILES for N-(2-amino-4-methylpentyl)dodecanamide is CCCCCCCCCCCC(=O)NCC(N)CC(C)C.
What is the InChIKey of N-(2-amino-4-methylpentyl)dodecanamide?
The InChIKey is MYEPADGQICYBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-4-5-6-7-8-9-10-11-12-13-18(21)20-15-17(19)14-16(2)3/h16-17H,4-15,19H2,1-3H3,(H,20,21).
What are the key properties of N-(2-amino-4-methylpentyl)dodecanamide?
N-(2-amino-4-methylpentyl)dodecanamide has a molecular weight of 298.51 g/mol, XLogP of 4.40, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylpentyl)dodecanamide is sourced from PubChem (CID 107158867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).