N-(2-cyclohexyloxyethyl)-2-methoxy-2-methylpropanamide

C13H25NO3 — CID 113233400

IUPACN-(2-cyclohexyloxyethyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NCCOC1CCCCC1
InChIInChI=1S/C13H25NO3/c1-13(2,16-3)12(15)14-9-10-17-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyYYHBTGRXZXLBLY-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.88
Rot. Bonds6

About N-(2-cyclohexyloxyethyl)-2-methoxy-2-methylpropanamide

N-(2-cyclohexyloxyethyl)-2-methoxy-2-methylpropanamide (PubChem CID 113233400) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-2-methoxy-2-methylpropanamide
PubChem CID113233400
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-(2-cyclohexyloxyethyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NCCOC1CCCCC1
InChIInChI=1S/C13H25NO3/c1-13(2,16-3)12(15)14-9-10-17-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyYYHBTGRXZXLBLY-UHFFFAOYSA-N
XLogP1.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.88
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-cyclohexyloxyethyl)-2,2-dimethylpropanamide
CID 61149982
N-(2-cyclopentyloxyethyl)-2-(ethylamino)-2-methylpropanamide
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2-amino-N-(2-cycloheptyloxyethyl)-2-methylpentanamide
CID 119786683
N-(2-cyclohexyloxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80547271
1-(2-cyclohexyloxyethyl)-3-methylurea
CID 115588478
2-amino-N-(2-cyclopentyloxyethyl)-3,3-dimethylbutanamide
CID 77009240
N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
CID 140689700
1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111428431
(2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride
CID 119325372
1-(2-cyclohexyloxyethyl)-3-(2-methoxyethyl)thiourea
CID 115588050
N-(2-cyclohexyloxyethyl)-2-ethoxyacetamide
CID 61217692
1-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225931

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(2-cyclohexyloxyethyl)-2-methoxy-2-methylpropanamide (CID 113233400) is N-(2-cyclohexyloxyethyl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)NCCOC1CCCCC1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-2-methoxy-2-methylpropanamide?
The InChIKey is YYHBTGRXZXLBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-13(2,16-3)12(15)14-9-10-17-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,14,15).
What are the key properties of N-(2-cyclohexyloxyethyl)-2-methoxy-2-methylpropanamide?
N-(2-cyclohexyloxyethyl)-2-methoxy-2-methylpropanamide has a molecular weight of 243.35 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 113233400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).