N-[dicyclohexyl(methylamino)methyl]-N-methyldodecanamide

C27H52N2O — CID 141461896

IUPACN-[dicyclohexyl(methylamino)methyl]-N-methyldodecanamide
SMILESCCCCCCCCCCCC(=O)N(C)C(NC)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H52N2O/c1-4-5-6-7-8-9-10-11-18-23-26(30)29(3)27(28-2,24-19-14-12-15-20-24)25-21-16-13-17-22-25/h24-25,28H,4-23H2,1-3H3
InChIKeyULZXUPGJIBPACH-UHFFFAOYSA-N
MW420.73 g/mol
LogP7.44
Rot. Bonds14

About N-[dicyclohexyl(methylamino)methyl]-N-methyldodecanamide

N-[dicyclohexyl(methylamino)methyl]-N-methyldodecanamide (PubChem CID 141461896) has the molecular formula C27H52N2O and a molecular weight of 420.73 g/mol. Its IUPAC name is N-[dicyclohexyl(methylamino)methyl]-N-methyldodecanamide.

Molecular Properties

Compound NameN-[dicyclohexyl(methylamino)methyl]-N-methyldodecanamide
PubChem CID141461896
Molecular FormulaC27H52N2O
Molecular Weight420.73 g/mol
Exact Mass420.41
IUPAC NameN-[dicyclohexyl(methylamino)methyl]-N-methyldodecanamide
SMILESCCCCCCCCCCCC(=O)N(C)C(NC)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H52N2O/c1-4-5-6-7-8-9-10-11-18-23-26(30)29(3)27(28-2,24-19-14-12-15-20-24)25-21-16-13-17-22-25/h24-25,28H,4-23H2,1-3H3
InChIKeyULZXUPGJIBPACH-UHFFFAOYSA-N
XLogP7.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.73
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyldecan-1-one
CID 63409715
N-methyl-N-(2-methylhexan-2-yl)nonanamide
CID 91092299
N-(2-chloroethyl)-N-cyclohexyloctanamide
CID 63391554
2-[heptanoyl(methyl)amino]-2-methylpropanoic acid
CID 62817407
N-cyclohexyl-N-[2-(methylamino)ethoxy]octanamide
CID 170293250
N-(2-bromoethyl)-N-cyclohexyloctanamide
CID 80658420
N-decanoyl-N-methyldecanamide
CID 141076390
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
N-(3-aminopropyl)-N-cycloheptylheptanamide
CID 114751887
N,N-bis(2-methylcyclohexyl)hexadecanamide
CID 175123374

Frequently Asked Questions

What is the IUPAC name of N-[dicyclohexyl(methylamino)methyl]-N-methyldodecanamide?
The IUPAC name of N-[dicyclohexyl(methylamino)methyl]-N-methyldodecanamide (CID 141461896) is N-[dicyclohexyl(methylamino)methyl]-N-methyldodecanamide.
What is the SMILES notation for N-[dicyclohexyl(methylamino)methyl]-N-methyldodecanamide?
The canonical SMILES for N-[dicyclohexyl(methylamino)methyl]-N-methyldodecanamide is CCCCCCCCCCCC(=O)N(C)C(NC)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-[dicyclohexyl(methylamino)methyl]-N-methyldodecanamide?
The InChIKey is ULZXUPGJIBPACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H52N2O/c1-4-5-6-7-8-9-10-11-18-23-26(30)29(3)27(28-2,24-19-14-12-15-20-24)25-21-16-13-17-22-25/h24-25,28H,4-23H2,1-3H3.
What are the key properties of N-[dicyclohexyl(methylamino)methyl]-N-methyldodecanamide?
N-[dicyclohexyl(methylamino)methyl]-N-methyldodecanamide has a molecular weight of 420.73 g/mol, XLogP of 7.44, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dicyclohexyl(methylamino)methyl]-N-methyldodecanamide is sourced from PubChem (CID 141461896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).