3-methyl-2-[(3-morpholin-4-yl-3-oxopropyl)amino]butanamide

C12H23N3O3 — CID 18325253

IUPAC3-methyl-2-[(3-morpholin-4-yl-3-oxopropyl)amino]butanamide
SMILESCC(C)C(NCCC(=O)N1CCOCC1)C(N)=O
InChIInChI=1S/C12H23N3O3/c1-9(2)11(12(13)17)14-4-3-10(16)15-5-7-18-8-6-15/h9,11,14H,3-8H2,1-2H3,(H2,13,17)
InChIKeyBXZQSXPLPMXCLH-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.67
Rot. Bonds6

About 3-methyl-2-[(3-morpholin-4-yl-3-oxopropyl)amino]butanamide

3-methyl-2-[(3-morpholin-4-yl-3-oxopropyl)amino]butanamide (PubChem CID 18325253) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-methyl-2-[(3-morpholin-4-yl-3-oxopropyl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[(3-morpholin-4-yl-3-oxopropyl)amino]butanamide
PubChem CID18325253
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name3-methyl-2-[(3-morpholin-4-yl-3-oxopropyl)amino]butanamide
SMILESCC(C)C(NCCC(=O)N1CCOCC1)C(N)=O
InChIInChI=1S/C12H23N3O3/c1-9(2)11(12(13)17)14-4-3-10(16)15-5-7-18-8-6-15/h9,11,14H,3-8H2,1-2H3,(H2,13,17)
InChIKeyBXZQSXPLPMXCLH-UHFFFAOYSA-N
XLogP-0.67
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3-morpholin-4-yl-3-oxopropyl)amino]butanamide?
The IUPAC name of 3-methyl-2-[(3-morpholin-4-yl-3-oxopropyl)amino]butanamide (CID 18325253) is 3-methyl-2-[(3-morpholin-4-yl-3-oxopropyl)amino]butanamide.
What is the SMILES notation for 3-methyl-2-[(3-morpholin-4-yl-3-oxopropyl)amino]butanamide?
The canonical SMILES for 3-methyl-2-[(3-morpholin-4-yl-3-oxopropyl)amino]butanamide is CC(C)C(NCCC(=O)N1CCOCC1)C(N)=O.
What is the InChIKey of 3-methyl-2-[(3-morpholin-4-yl-3-oxopropyl)amino]butanamide?
The InChIKey is BXZQSXPLPMXCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(2)11(12(13)17)14-4-3-10(16)15-5-7-18-8-6-15/h9,11,14H,3-8H2,1-2H3,(H2,13,17).
What are the key properties of 3-methyl-2-[(3-morpholin-4-yl-3-oxopropyl)amino]butanamide?
3-methyl-2-[(3-morpholin-4-yl-3-oxopropyl)amino]butanamide has a molecular weight of 257.33 g/mol, XLogP of -0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(3-morpholin-4-yl-3-oxopropyl)amino]butanamide is sourced from PubChem (CID 18325253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).