N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide

C13H22N2O3 — CID 83104501

IUPACN-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCOCC1C(=O)NC1CC1
InChIInChI=1S/C13H22N2O3/c1-13(2,3)12(17)15-6-7-18-8-10(15)11(16)14-9-4-5-9/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKeyFSAMYWIGSXNTPZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.54
Rot. Bonds2

About N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide

N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide (PubChem CID 83104501) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide
PubChem CID83104501
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCOCC1C(=O)NC1CC1
InChIInChI=1S/C13H22N2O3/c1-13(2,3)12(17)15-6-7-18-8-10(15)11(16)14-9-4-5-9/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKeyFSAMYWIGSXNTPZ-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide
CID 83105243
3-N-cyclopropyl-4-N-methylmorpholine-3,4-dicarboxamide
CID 116657472
4-[2-(tert-butylamino)acetyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83098876
N-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide
CID 83105257
N-cyclopropyl-4-(2-hydrazinyl-2-oxoacetyl)morpholine-3-carboxamide
CID 83103627
methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
CID 104774844
4-(2-bromo-3-methylbutanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83106807
N-cyclopropyl-4-[2-(methylamino)propanoyl]morpholine-3-carboxamide
CID 83097661
N-cyclopropyl-4-(6-methylpiperidine-2-carbonyl)morpholine-3-carboxamide
CID 83102456
4-N-(2-chloropropanoyl)-3-N-cyclopropylmorpholine-3,4-dicarboxamide
CID 83103615
4-(4-chlorobutanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83106386
4-(1-aminocyclopentanecarbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83098030

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide (CID 83104501) is N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide is CC(C)(C)C(=O)N1CCOCC1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide?
The InChIKey is FSAMYWIGSXNTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(2,3)12(17)15-6-7-18-8-10(15)11(16)14-9-4-5-9/h9-10H,4-8H2,1-3H3,(H,14,16).
What are the key properties of N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide?
N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide is sourced from PubChem (CID 83104501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).