N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide

C12H24N2O2 — CID 156795218

IUPACN-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide
SMILESCCCCN1CCOC(CN(C)C(C)=O)C1
InChIInChI=1S/C12H24N2O2/c1-4-5-6-14-7-8-16-12(10-14)9-13(3)11(2)15/h12H,4-10H2,1-3H3
InChIKeySMMVPYYPUJLLFR-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.97
Rot. Bonds5

About N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide

N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide (PubChem CID 156795218) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide
PubChem CID156795218
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide
SMILESCCCCN1CCOC(CN(C)C(C)=O)C1
InChIInChI=1S/C12H24N2O2/c1-4-5-6-14-7-8-16-12(10-14)9-13(3)11(2)15/h12H,4-10H2,1-3H3
InChIKeySMMVPYYPUJLLFR-UHFFFAOYSA-N
XLogP0.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide;ethane;sulfane
CID 156795217
N-methyl-N-[[(2S)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]acetamide
CID 170064550
N-[(4-butylmorpholin-2-yl)methyl]-N,2-dimethylpropanamide;ethane
CID 169213965
N,2-dimethyl-N-[(4-pentylmorpholin-2-yl)methyl]propanamide
CID 163400251
N-[(4-butylmorpholin-2-yl)methyl]-N-methylethanamine
CID 164557510
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-methylpropane-2-sulfonamide;ethane
CID 178004297
N-[[(2R)-4-ethylmorpholin-2-yl]methyl]-N-methylpropanamide
CID 155582749
4-dodecyl-2-ethylmorpholine
CID 4616518
acetic acid;4-butyl-2-methylmorpholine
CID 175198746
2-(chloromethyl)-4-pentylmorpholine
CID 81213679

Frequently Asked Questions

What is the IUPAC name of N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide?
The IUPAC name of N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide (CID 156795218) is N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide is CCCCN1CCOC(CN(C)C(C)=O)C1.
What is the InChIKey of N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide?
The InChIKey is SMMVPYYPUJLLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-5-6-14-7-8-16-12(10-14)9-13(3)11(2)15/h12H,4-10H2,1-3H3.
What are the key properties of N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide?
N-[(4-butylmorpholin-2-yl)methyl]-N-methylacetamide has a molecular weight of 228.34 g/mol, XLogP of 0.97, 5 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-methylacetamide is sourced from PubChem (CID 156795218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).