N,N-bis(2-methylcyclohexyl)hexadecanamide

C30H57NO — CID 175123374

IUPACN,N-bis(2-methylcyclohexyl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N(C1CCCCC1C)C1CCCCC1C
InChIInChI=1S/C30H57NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-25-30(32)31(28-23-19-17-21-26(28)2)29-24-20-18-22-27(29)3/h26-29H,4-25H2,1-3H3
InChIKeyJTAAVYFRNOFBHB-UHFFFAOYSA-N
MW447.79 g/mol
LogP9.45
Rot. Bonds16

About N,N-bis(2-methylcyclohexyl)hexadecanamide

N,N-bis(2-methylcyclohexyl)hexadecanamide (PubChem CID 175123374) has the molecular formula C30H57NO and a molecular weight of 447.79 g/mol. Its IUPAC name is N,N-bis(2-methylcyclohexyl)hexadecanamide.

Molecular Properties

Compound NameN,N-bis(2-methylcyclohexyl)hexadecanamide
PubChem CID175123374
Molecular FormulaC30H57NO
Molecular Weight447.79 g/mol
Exact Mass447.44
IUPAC NameN,N-bis(2-methylcyclohexyl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N(C1CCCCC1C)C1CCCCC1C
InChIInChI=1S/C30H57NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-25-30(32)31(28-23-19-17-21-26(28)2)29-24-20-18-22-27(29)3/h26-29H,4-25H2,1-3H3
InChIKeyJTAAVYFRNOFBHB-UHFFFAOYSA-N
XLogP9.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.79
LogP ≤ 59.45
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-(2-aminocyclohexyl)-N-decanoyldecanamide
CID 142723137
cis-(1R,2S)-1,2-dimethylcyclohexane;heptane
CID 142453951
1-(2-methylcyclopentyl)heptan-1-one
CID 107186756
1-(2-methylcyclopentyl)decan-1-one
CID 107186745
N,N-bis(hydroxymethyl)tetradecanamide
CID 54140383
N-(2-chloroethyl)-N-cyclopropylnonanamide
CID 65426813
N-methyl-N-(2-methylcyclohexyl)propanamide
CID 60735521
1-(2-methylcyclopentyl)hexan-1-one
CID 107186773
2-[cyclopropyl(nonanoyl)amino]acetic acid
CID 54945844
N-(2-chloroethyl)-N-cyclohexyloctanamide
CID 63391554
N-hydroxy-N-methyloctadecanamide
CID 19818891
1-cyclohexyldecan-1-one
CID 63409715

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylcyclohexyl)hexadecanamide?
The IUPAC name of N,N-bis(2-methylcyclohexyl)hexadecanamide (CID 175123374) is N,N-bis(2-methylcyclohexyl)hexadecanamide.
What is the SMILES notation for N,N-bis(2-methylcyclohexyl)hexadecanamide?
The canonical SMILES for N,N-bis(2-methylcyclohexyl)hexadecanamide is CCCCCCCCCCCCCCCC(=O)N(C1CCCCC1C)C1CCCCC1C.
What is the InChIKey of N,N-bis(2-methylcyclohexyl)hexadecanamide?
The InChIKey is JTAAVYFRNOFBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H57NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-25-30(32)31(28-23-19-17-21-26(28)2)29-24-20-18-22-27(29)3/h26-29H,4-25H2,1-3H3.
What are the key properties of N,N-bis(2-methylcyclohexyl)hexadecanamide?
N,N-bis(2-methylcyclohexyl)hexadecanamide has a molecular weight of 447.79 g/mol, XLogP of 9.45, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylcyclohexyl)hexadecanamide is sourced from PubChem (CID 175123374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).