N-[(4-butylmorpholin-2-yl)methyl]-N,2-dimethylpropanamide;ethane

C16H34N2O2 — CID 169213965

IUPACN-[(4-butylmorpholin-2-yl)methyl]-N,2-dimethylpropanamide;ethane
SMILESCC.CCCCN1CCOC(CN(C)C(=O)C(C)C)C1
InChIInChI=1S/C14H28N2O2.C2H6/c1-5-6-7-16-8-9-18-13(11-16)10-15(4)14(17)12(2)3;1-2/h12-13H,5-11H2,1-4H3;1-2H3
InChIKeyLVJFUEQADPEBMR-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.63
Rot. Bonds6

About N-[(4-butylmorpholin-2-yl)methyl]-N,2-dimethylpropanamide;ethane

N-[(4-butylmorpholin-2-yl)methyl]-N,2-dimethylpropanamide;ethane (PubChem CID 169213965) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[(4-butylmorpholin-2-yl)methyl]-N,2-dimethylpropanamide;ethane.

Molecular Properties

Compound NameN-[(4-butylmorpholin-2-yl)methyl]-N,2-dimethylpropanamide;ethane
PubChem CID169213965
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC NameN-[(4-butylmorpholin-2-yl)methyl]-N,2-dimethylpropanamide;ethane
SMILESCC.CCCCN1CCOC(CN(C)C(=O)C(C)C)C1
InChIInChI=1S/C14H28N2O2.C2H6/c1-5-6-7-16-8-9-18-13(11-16)10-15(4)14(17)12(2)3;1-2/h12-13H,5-11H2,1-4H3;1-2H3
InChIKeyLVJFUEQADPEBMR-UHFFFAOYSA-N
XLogP2.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-[(4-pentylmorpholin-2-yl)methyl]propanamide
CID 163400251
N,2-dimethyl-N-[(4-propylmorpholin-2-yl)methyl]propanamide
CID 164906952
N,2-dimethyl-N-[[(2R)-4-(4-methylpentyl)morpholin-2-yl]methyl]propanamide
CID 138727851
N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide;ethane;sulfane
CID 156795217
N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide
CID 156795218
N-[(4-butylmorpholin-2-yl)methyl]-N-methylpropane-2-sulfonamide;ethane
CID 178004297
N,2-dimethyl-N-[[(2S)-4-(4-methylpent-2-ynyl)morpholin-2-yl]methyl]propanamide;methane
CID 157327829
N-[(4-butylmorpholin-2-yl)methyl]-N-methylethanamine
CID 164557510
N,2-dimethyl-N-[[(2R)-4-(4-methyloct-2-ynyl)morpholin-2-yl]methyl]octanamide
CID 166800725
2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide
CID 163401131
N-methyl-N-[[(2R)-4-[2-(2-methylpropylamino)ethyl]morpholin-2-yl]methyl]-2-sulfanylpropanamide
CID 167243582
N-methyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]acetamide
CID 170064550

Frequently Asked Questions

What is the IUPAC name of N-[(4-butylmorpholin-2-yl)methyl]-N,2-dimethylpropanamide;ethane?
The IUPAC name of N-[(4-butylmorpholin-2-yl)methyl]-N,2-dimethylpropanamide;ethane (CID 169213965) is N-[(4-butylmorpholin-2-yl)methyl]-N,2-dimethylpropanamide;ethane.
What is the SMILES notation for N-[(4-butylmorpholin-2-yl)methyl]-N,2-dimethylpropanamide;ethane?
The canonical SMILES for N-[(4-butylmorpholin-2-yl)methyl]-N,2-dimethylpropanamide;ethane is CC.CCCCN1CCOC(CN(C)C(=O)C(C)C)C1.
What is the InChIKey of N-[(4-butylmorpholin-2-yl)methyl]-N,2-dimethylpropanamide;ethane?
The InChIKey is LVJFUEQADPEBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2.C2H6/c1-5-6-7-16-8-9-18-13(11-16)10-15(4)14(17)12(2)3;1-2/h12-13H,5-11H2,1-4H3;1-2H3.
What are the key properties of N-[(4-butylmorpholin-2-yl)methyl]-N,2-dimethylpropanamide;ethane?
N-[(4-butylmorpholin-2-yl)methyl]-N,2-dimethylpropanamide;ethane has a molecular weight of 286.46 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butylmorpholin-2-yl)methyl]-N,2-dimethylpropanamide;ethane is sourced from PubChem (CID 169213965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).