2-[4-(2,2-dimethylpropyl)cyclohexyl]-N-[2-(2-methoxyethoxy)ethyl]acetamide

C18H35NO3 — CID 156682837

IUPAC2-[4-(2,2-dimethylpropyl)cyclohexyl]-N-[2-(2-methoxyethoxy)ethyl]acetamide
SMILESCOCCOCCNC(=O)CC1CCC(CC(C)(C)C)CC1
InChIInChI=1S/C18H35NO3/c1-18(2,3)14-16-7-5-15(6-8-16)13-17(20)19-9-10-22-12-11-21-4/h15-16H,5-14H2,1-4H3,(H,19,20)
InChIKeyDOABQHHAWKADCK-UHFFFAOYSA-N
MW313.48 g/mol
LogP3.40
Rot. Bonds9

About 2-[4-(2,2-dimethylpropyl)cyclohexyl]-N-[2-(2-methoxyethoxy)ethyl]acetamide

2-[4-(2,2-dimethylpropyl)cyclohexyl]-N-[2-(2-methoxyethoxy)ethyl]acetamide (PubChem CID 156682837) has the molecular formula C18H35NO3 and a molecular weight of 313.48 g/mol. Its IUPAC name is 2-[4-(2,2-dimethylpropyl)cyclohexyl]-N-[2-(2-methoxyethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(2,2-dimethylpropyl)cyclohexyl]-N-[2-(2-methoxyethoxy)ethyl]acetamide
PubChem CID156682837
Molecular FormulaC18H35NO3
Molecular Weight313.48 g/mol
Exact Mass313.26
IUPAC Name2-[4-(2,2-dimethylpropyl)cyclohexyl]-N-[2-(2-methoxyethoxy)ethyl]acetamide
SMILESCOCCOCCNC(=O)CC1CCC(CC(C)(C)C)CC1
InChIInChI=1S/C18H35NO3/c1-18(2,3)14-16-7-5-15(6-8-16)13-17(20)19-9-10-22-12-11-21-4/h15-16H,5-14H2,1-4H3,(H,19,20)
InChIKeyDOABQHHAWKADCK-UHFFFAOYSA-N
XLogP3.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholinoethyl)-4-pentylcyclohexanecarboxamide
CID 3731631
2-[[2-(4,4-Dimethylcyclohexyl)acetyl]amino]ethyl carbamate
CID 75502864
2-butyl-N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]heptanamide
CID 166678789
2-butyl-N-[2-fluoro-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propyl]heptanamide
CID 166733317
N-[2-fluoro-3-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-propyloctanamide
CID 166800852
3-cyclohexyl-N-(2-methoxyethyl)propanamide
CID 2299647
3-cyclohexyl-N-(2-methoxyethyl)butanamide
CID 53545199
N-(2-methoxyethyl)cyclohexanecarboxamide
CID 4150038
N,N'-bis[2-(2-methoxyethoxy)ethyl]-8,13-dimethylicosanediamide
CID 9872897
N,N'-bis[2-(2-hydroxyethoxy)ethyl]-8,13-dimethylicosanediamide
CID 9915386
2-cyclohexyl-N-(2-methoxyethyl)acetamide
CID 16473206
2-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 20724645

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethylpropyl)cyclohexyl]-N-[2-(2-methoxyethoxy)ethyl]acetamide?
The IUPAC name of 2-[4-(2,2-dimethylpropyl)cyclohexyl]-N-[2-(2-methoxyethoxy)ethyl]acetamide (CID 156682837) is 2-[4-(2,2-dimethylpropyl)cyclohexyl]-N-[2-(2-methoxyethoxy)ethyl]acetamide.
What is the SMILES notation for 2-[4-(2,2-dimethylpropyl)cyclohexyl]-N-[2-(2-methoxyethoxy)ethyl]acetamide?
The canonical SMILES for 2-[4-(2,2-dimethylpropyl)cyclohexyl]-N-[2-(2-methoxyethoxy)ethyl]acetamide is COCCOCCNC(=O)CC1CCC(CC(C)(C)C)CC1.
What is the InChIKey of 2-[4-(2,2-dimethylpropyl)cyclohexyl]-N-[2-(2-methoxyethoxy)ethyl]acetamide?
The InChIKey is DOABQHHAWKADCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO3/c1-18(2,3)14-16-7-5-15(6-8-16)13-17(20)19-9-10-22-12-11-21-4/h15-16H,5-14H2,1-4H3,(H,19,20).
What are the key properties of 2-[4-(2,2-dimethylpropyl)cyclohexyl]-N-[2-(2-methoxyethoxy)ethyl]acetamide?
2-[4-(2,2-dimethylpropyl)cyclohexyl]-N-[2-(2-methoxyethoxy)ethyl]acetamide has a molecular weight of 313.48 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethylpropyl)cyclohexyl]-N-[2-(2-methoxyethoxy)ethyl]acetamide is sourced from PubChem (CID 156682837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).