4-(3-oxobutan-2-yl)-N-propylmorpholine-3-carboxamide

C12H22N2O3 — CID 83103248

IUPAC4-(3-oxobutan-2-yl)-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1C(C)C(C)=O
InChIInChI=1S/C12H22N2O3/c1-4-5-13-12(16)11-8-17-7-6-14(11)9(2)10(3)15/h9,11H,4-8H2,1-3H3,(H,13,16)
InChIKeyQTNXPXGQXARLLW-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.19
Rot. Bonds5

About 4-(3-oxobutan-2-yl)-N-propylmorpholine-3-carboxamide

4-(3-oxobutan-2-yl)-N-propylmorpholine-3-carboxamide (PubChem CID 83103248) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(3-oxobutan-2-yl)-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-oxobutan-2-yl)-N-propylmorpholine-3-carboxamide
PubChem CID83103248
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-(3-oxobutan-2-yl)-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1C(C)C(C)=O
InChIInChI=1S/C12H22N2O3/c1-4-5-13-12(16)11-8-17-7-6-14(11)9(2)10(3)15/h9,11H,4-8H2,1-3H3,(H,13,16)
InChIKeyQTNXPXGQXARLLW-UHFFFAOYSA-N
XLogP0.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-[3-(propylcarbamoyl)morpholin-4-yl]propanoic acid
CID 114242234
4-(1-cyanobutan-2-yl)-N-propylmorpholine-3-carboxamide
CID 83099471
4-[2-(methylamino)propanoyl]-N-propylmorpholine-3-carboxamide
CID 83097059
3-N-propylmorpholine-3,4-dicarboxamide
CID 83106321
4-(2-bromo-3-methylbutanoyl)-N-propylmorpholine-3-carboxamide
CID 83106243
4-ethylsulfonyl-N-propylmorpholine-3-carboxamide
CID 83105676
4-(2-amino-1-pyridin-4-ylethyl)-N-propylmorpholine-3-carboxamide
CID 83097966
4-N-butyl-3-N-propylmorpholine-3,4-dicarboxamide
CID 116657442
2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103120
4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide
CID 83106811
2-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid
CID 83100616
4-[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]-N-propylmorpholine-3-carboxamide
CID 106963754

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxobutan-2-yl)-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-oxobutan-2-yl)-N-propylmorpholine-3-carboxamide (CID 83103248) is 4-(3-oxobutan-2-yl)-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-oxobutan-2-yl)-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-oxobutan-2-yl)-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1C(C)C(C)=O.
What is the InChIKey of 4-(3-oxobutan-2-yl)-N-propylmorpholine-3-carboxamide?
The InChIKey is QTNXPXGQXARLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-5-13-12(16)11-8-17-7-6-14(11)9(2)10(3)15/h9,11H,4-8H2,1-3H3,(H,13,16).
What are the key properties of 4-(3-oxobutan-2-yl)-N-propylmorpholine-3-carboxamide?
4-(3-oxobutan-2-yl)-N-propylmorpholine-3-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxobutan-2-yl)-N-propylmorpholine-3-carboxamide is sourced from PubChem (CID 83103248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).