4-butanoyl-N-methylmorpholine-3-carboxamide

C10H18N2O3 — CID 83104060

IUPAC4-butanoyl-N-methylmorpholine-3-carboxamide
SMILESCCCC(=O)N1CCOCC1C(=O)NC
InChIInChI=1S/C10H18N2O3/c1-3-4-9(13)12-5-6-15-7-8(12)10(14)11-2/h8H,3-7H2,1-2H3,(H,11,14)
InChIKeyYAKLNGDBVQZVOW-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.24
Rot. Bonds3

About 4-butanoyl-N-methylmorpholine-3-carboxamide

4-butanoyl-N-methylmorpholine-3-carboxamide (PubChem CID 83104060) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-butanoyl-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-butanoyl-N-methylmorpholine-3-carboxamide
PubChem CID83104060
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name4-butanoyl-N-methylmorpholine-3-carboxamide
SMILESCCCC(=O)N1CCOCC1C(=O)NC
InChIInChI=1S/C10H18N2O3/c1-3-4-9(13)12-5-6-15-7-8(12)10(14)11-2/h8H,3-7H2,1-2H3,(H,11,14)
InChIKeyYAKLNGDBVQZVOW-UHFFFAOYSA-N
XLogP-0.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(3-oxobutanoyl)morpholine-3-carboxamide
CID 83097475
4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide
CID 83106665
methyl 3-(methylcarbamoyl)morpholine-4-carboxylate
CID 116657428
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide
CID 83106811
N-methyl-4-(2-morpholin-3-ylacetyl)morpholine-3-carboxamide
CID 83099010
4-[2-[1-(aminomethyl)cyclobutyl]acetyl]-N-methylmorpholine-3-carboxamide
CID 83096851
4-[2-(4-aminopiperidin-1-yl)acetyl]-N-methylmorpholine-3-carboxamide
CID 83099577
4-[2-[1-(aminomethyl)cyclohexyl]acetyl]-N-methylmorpholine-3-carboxamide
CID 104678605
4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide
CID 83105243
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843
N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide
CID 83099263

Frequently Asked Questions

What is the IUPAC name of 4-butanoyl-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-butanoyl-N-methylmorpholine-3-carboxamide (CID 83104060) is 4-butanoyl-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-butanoyl-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-butanoyl-N-methylmorpholine-3-carboxamide is CCCC(=O)N1CCOCC1C(=O)NC.
What is the InChIKey of 4-butanoyl-N-methylmorpholine-3-carboxamide?
The InChIKey is YAKLNGDBVQZVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-4-9(13)12-5-6-15-7-8(12)10(14)11-2/h8H,3-7H2,1-2H3,(H,11,14).
What are the key properties of 4-butanoyl-N-methylmorpholine-3-carboxamide?
4-butanoyl-N-methylmorpholine-3-carboxamide has a molecular weight of 214.26 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butanoyl-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83104060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).