N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(3-methylcyclohexyl)oxyacetamide

C15H29NO3 — CID 111596559

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(3-methylcyclohexyl)oxyacetamide
SMILESCCN(CC(C)(C)O)C(=O)COC1CCCC(C)C1
InChIInChI=1S/C15H29NO3/c1-5-16(11-15(3,4)18)14(17)10-19-13-8-6-7-12(2)9-13/h12-13,18H,5-11H2,1-4H3
InChIKeyHDLBZKMLPLETET-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.20
Rot. Bonds6

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(3-methylcyclohexyl)oxyacetamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(3-methylcyclohexyl)oxyacetamide (PubChem CID 111596559) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(3-methylcyclohexyl)oxyacetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(3-methylcyclohexyl)oxyacetamide
PubChem CID111596559
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(3-methylcyclohexyl)oxyacetamide
SMILESCCN(CC(C)(C)O)C(=O)COC1CCCC(C)C1
InChIInChI=1S/C15H29NO3/c1-5-16(11-15(3,4)18)14(17)10-19-13-8-6-7-12(2)9-13/h12-13,18H,5-11H2,1-4H3
InChIKeyHDLBZKMLPLETET-UHFFFAOYSA-N
XLogP2.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-methylbutan-2-yl)-2-(3-methylcyclohexyl)oxyacetamide
CID 86941609
2-cyclohexyloxy-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78888415
N-methyl-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(1S,2S)-2-methylsulfonylcyclopentyl]acetamide
CID 124856790
1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone
CID 104751838
N-butyl-2-cyclohexyloxy-N-ethylacetamide
CID 87000824
2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[4-[methyl-[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]butyl]acetamide
CID 124856388
N-ethyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
CID 140621968
3-[[2-(3-methylcyclohexyl)oxyacetyl]-(oxan-4-yl)amino]propanoic acid
CID 119212443
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 79387562
2,2-dimethyl-3-(3-methylcyclohexyl)oxypropan-1-ol
CID 81217769
N-(2-acetamidoethyl)-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide
CID 97023264
5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylcyclohexane-1-carboxamide
CID 79385894

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(3-methylcyclohexyl)oxyacetamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(3-methylcyclohexyl)oxyacetamide (CID 111596559) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(3-methylcyclohexyl)oxyacetamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(3-methylcyclohexyl)oxyacetamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(3-methylcyclohexyl)oxyacetamide is CCN(CC(C)(C)O)C(=O)COC1CCCC(C)C1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(3-methylcyclohexyl)oxyacetamide?
The InChIKey is HDLBZKMLPLETET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-5-16(11-15(3,4)18)14(17)10-19-13-8-6-7-12(2)9-13/h12-13,18H,5-11H2,1-4H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(3-methylcyclohexyl)oxyacetamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(3-methylcyclohexyl)oxyacetamide has a molecular weight of 271.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(3-methylcyclohexyl)oxyacetamide is sourced from PubChem (CID 111596559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).