4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide

C11H20N2O3 — CID 83105243

IUPAC4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)C(C)(C)C
InChIInChI=1S/C11H20N2O3/c1-11(2,3)10(15)13-5-6-16-7-8(13)9(14)12-4/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyQHILFHGHUUZMFD-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.01
Rot. Bonds1

About 4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide

4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide (PubChem CID 83105243) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide
PubChem CID83105243
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)C(C)(C)C
InChIInChI=1S/C11H20N2O3/c1-11(2,3)10(15)13-5-6-16-7-8(13)9(14)12-4/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyQHILFHGHUUZMFD-UHFFFAOYSA-N
XLogP0.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide
CID 83104501
methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
CID 104774844
methyl 3-(methylcarbamoyl)morpholine-4-carboxylate
CID 116657428
3,3-dimethyl-2-[3-(methylcarbamoyl)morpholine-4-carbonyl]butanoic acid
CID 116537418
N-methyl-4-(3-oxobutanoyl)morpholine-3-carboxamide
CID 83097475
4-butanoyl-N-methylmorpholine-3-carboxamide
CID 83104060
4-[3-(methylcarbamoyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 83104998
(2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid
CID 102945606
4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide
CID 83106665
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843
4-[2-(4-aminophenyl)acetyl]-N-methylmorpholine-3-carboxamide
CID 83107170
N-methyl-4-(2-piperazin-1-ylpropanoyl)morpholine-3-carboxamide
CID 83103255

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide (CID 83105243) is 4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)C(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide?
The InChIKey is QHILFHGHUUZMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,3)10(15)13-5-6-16-7-8(13)9(14)12-4/h8H,5-7H2,1-4H3,(H,12,14).
What are the key properties of 4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide?
4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide has a molecular weight of 228.29 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83105243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).