2-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-N,N-dimethylacetamide

C15H30N2O3 — CID 60901795

IUPAC2-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-N,N-dimethylacetamide
SMILESCCC1CCCCC1OCC(O)CNCC(=O)N(C)C
InChIInChI=1S/C15H30N2O3/c1-4-12-7-5-6-8-14(12)20-11-13(18)9-16-10-15(19)17(2)3/h12-14,16,18H,4-11H2,1-3H3
InChIKeyAGHVUGRIESASJY-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.01
Rot. Bonds8

About 2-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-N,N-dimethylacetamide

2-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-N,N-dimethylacetamide (PubChem CID 60901795) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-N,N-dimethylacetamide
PubChem CID60901795
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-N,N-dimethylacetamide
SMILESCCC1CCCCC1OCC(O)CNCC(=O)N(C)C
InChIInChI=1S/C15H30N2O3/c1-4-12-7-5-6-8-14(12)20-11-13(18)9-16-10-15(19)17(2)3/h12-14,16,18H,4-11H2,1-3H3
InChIKeyAGHVUGRIESASJY-UHFFFAOYSA-N
XLogP1.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-N,N-dimethylacetamide with MolForge

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Related Compounds

1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 60633455
3-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106275918
1-(2-ethylcyclohexyl)oxy-3-(2-methoxyethylamino)propan-2-ol
CID 60632867
1-(2,2-dimethylbutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 103461387
1-(2-ethylcyclohexyl)oxy-3-(3-methylbut-2-enylamino)propan-2-ol
CID 106188853
1-(2-ethylcyclohexyl)oxy-3-(methoxyamino)propan-2-ol
CID 60702585
1-(2-ethylcyclohexyl)oxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 104760627
1-(2-ethylcyclohexyl)oxy-3-(pent-3-ynylamino)propan-2-ol
CID 116643947
4-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol
CID 106146851
5-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 106160350
1-(2-ethylcyclohexyl)oxy-3-(thiolan-3-ylmethylamino)propan-2-ol
CID 107295879
1-(2-ethylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61040455

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-N,N-dimethylacetamide (CID 60901795) is 2-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-N,N-dimethylacetamide is CCC1CCCCC1OCC(O)CNCC(=O)N(C)C.
What is the InChIKey of 2-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-N,N-dimethylacetamide?
The InChIKey is AGHVUGRIESASJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-4-12-7-5-6-8-14(12)20-11-13(18)9-16-10-15(19)17(2)3/h12-14,16,18H,4-11H2,1-3H3.
What are the key properties of 2-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-N,N-dimethylacetamide?
2-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-N,N-dimethylacetamide has a molecular weight of 286.42 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 60901795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).