4-(2,2-dimethylpropyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide

C17H33NO3 — CID 156682824

IUPAC4-(2,2-dimethylpropyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide
SMILESCOCCOCCNC(=O)C1CCC(CC(C)(C)C)CC1
InChIInChI=1S/C17H33NO3/c1-17(2,3)13-14-5-7-15(8-6-14)16(19)18-9-10-21-12-11-20-4/h14-15H,5-13H2,1-4H3,(H,18,19)
InChIKeyKEJCEUAIHBUCHO-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.01
Rot. Bonds8

About 4-(2,2-dimethylpropyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide

4-(2,2-dimethylpropyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide (PubChem CID 156682824) has the molecular formula C17H33NO3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide
PubChem CID156682824
Molecular FormulaC17H33NO3
Molecular Weight299.46 g/mol
Exact Mass299.25
IUPAC Name4-(2,2-dimethylpropyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide
SMILESCOCCOCCNC(=O)C1CCC(CC(C)(C)C)CC1
InChIInChI=1S/C17H33NO3/c1-17(2,3)13-14-5-7-15(8-6-14)16(19)18-9-10-21-12-11-20-4/h14-15H,5-13H2,1-4H3,(H,18,19)
InChIKeyKEJCEUAIHBUCHO-UHFFFAOYSA-N
XLogP3.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.01
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 4-(2,2-dimethylpropyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(2,2-dimethylpropyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide (CID 156682824) is 4-(2,2-dimethylpropyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(2,2-dimethylpropyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide is COCCOCCNC(=O)C1CCC(CC(C)(C)C)CC1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide?
The InChIKey is KEJCEUAIHBUCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-17(2,3)13-14-5-7-15(8-6-14)16(19)18-9-10-21-12-11-20-4/h14-15H,5-13H2,1-4H3,(H,18,19).
What are the key properties of 4-(2,2-dimethylpropyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide?
4-(2,2-dimethylpropyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide has a molecular weight of 299.46 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 156682824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).