4-amino-2-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide

C12H23N3O3 — CID 113408473

IUPAC4-amino-2-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide
SMILESCC(CCN)C(=O)NC(C)C(=O)N1CCOCC1
InChIInChI=1S/C12H23N3O3/c1-9(3-4-13)11(16)14-10(2)12(17)15-5-7-18-8-6-15/h9-10H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyFVJGBLZTLFRHCL-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.67
Rot. Bonds5

About 4-amino-2-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide

4-amino-2-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide (PubChem CID 113408473) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide
PubChem CID113408473
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name4-amino-2-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide
SMILESCC(CCN)C(=O)NC(C)C(=O)N1CCOCC1
InChIInChI=1S/C12H23N3O3/c1-9(3-4-13)11(16)14-10(2)12(17)15-5-7-18-8-6-15/h9-10H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyFVJGBLZTLFRHCL-UHFFFAOYSA-N
XLogP-0.67
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

3-amino-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide
CID 112700894
2-(aminomethyl)-4,4-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide
CID 107472675
2-acetamido-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-sulfanylpropanamide
CID 107769834
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
CID 67759315
2-[4-aminobutan-2-yl(methyl)amino]-1-morpholin-4-ylpropan-1-one
CID 63225345
2-(aminomethyl)-2-ethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide
CID 115760333
1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea
CID 115620431
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide
CID 110347736
1-ethyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea
CID 116657745
N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrrolidine-1-carboxamide
CID 116657750
1,1-diethyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea
CID 110347785
N-(1-amino-4-methylpentan-3-yl)morpholine-4-carboxamide
CID 106357280

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide?
The IUPAC name of 4-amino-2-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide (CID 113408473) is 4-amino-2-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide.
What is the SMILES notation for 4-amino-2-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide?
The canonical SMILES for 4-amino-2-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide is CC(CCN)C(=O)NC(C)C(=O)N1CCOCC1.
What is the InChIKey of 4-amino-2-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide?
The InChIKey is FVJGBLZTLFRHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(3-4-13)11(16)14-10(2)12(17)15-5-7-18-8-6-15/h9-10H,3-8,13H2,1-2H3,(H,14,16).
What are the key properties of 4-amino-2-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide?
4-amino-2-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide has a molecular weight of 257.33 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)butanamide is sourced from PubChem (CID 113408473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).