2-amino-3-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide

C38H75N9O8 — CID 142295488

IUPAC2-amino-3-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
SMILESCCC(C)C(N)C(=O)NC(C)C(=O)N1CCOCC1.CCC(C)C(N)C(=O)NC(C)CN1CCOCC1.CCC(C)C(N)C(=O)NCC(=O)N1CCOCC1
InChIInChI=1S/C13H25N3O3.C13H27N3O2.C12H23N3O3/c1-4-9(2)11(14)12(17)15-10(3)13(18)16-5-7-19-8-6-16;1-4-10(2)12(14)13(17)15-11(3)9-16-5-7-18-8-6-16;1-3-9(2)11(13)12(17)14-8-10(16)15-4-6-18-7-5-15/h9-11H,4-8,14H2,1-3H3,(H,15,17);10-12H,4-9,14H2,1-3H3,(H,15,17);9,11H,3-8,13H2,1-2H3,(H,14,17)
InChIKeyQTAGJXNQFFBOCR-UHFFFAOYSA-N
MW786.07 g/mol
LogP-0.75
Rot. Bonds16

About 2-amino-3-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide

2-amino-3-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide (PubChem CID 142295488) has the molecular formula C38H75N9O8 and a molecular weight of 786.07 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
PubChem CID142295488
Molecular FormulaC38H75N9O8
Molecular Weight786.07 g/mol
Exact Mass785.57
IUPAC Name2-amino-3-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
SMILESCCC(C)C(N)C(=O)NC(C)C(=O)N1CCOCC1.CCC(C)C(N)C(=O)NC(C)CN1CCOCC1.CCC(C)C(N)C(=O)NCC(=O)N1CCOCC1
InChIInChI=1S/C13H25N3O3.C13H27N3O2.C12H23N3O3/c1-4-9(2)11(14)12(17)15-10(3)13(18)16-5-7-19-8-6-16;1-4-10(2)12(14)13(17)15-11(3)9-16-5-7-18-8-6-16;1-3-9(2)11(13)12(17)14-8-10(16)15-4-6-18-7-5-15/h9-11H,4-8,14H2,1-3H3,(H,15,17);10-12H,4-9,14H2,1-3H3,(H,15,17);9,11H,3-8,13H2,1-2H3,(H,14,17)
InChIKeyQTAGJXNQFFBOCR-UHFFFAOYSA-N
XLogP-0.75
TPSA236.91 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500786.07
LogP ≤ 5-0.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 2-amino-3-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide?
The IUPAC name of 2-amino-3-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide (CID 142295488) is 2-amino-3-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide is CCC(C)C(N)C(=O)NC(C)C(=O)N1CCOCC1.CCC(C)C(N)C(=O)NC(C)CN1CCOCC1.CCC(C)C(N)C(=O)NCC(=O)N1CCOCC1.
What is the InChIKey of 2-amino-3-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide?
The InChIKey is QTAGJXNQFFBOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3.C13H27N3O2.C12H23N3O3/c1-4-9(2)11(14)12(17)15-10(3)13(18)16-5-7-19-8-6-16;1-4-10(2)12(14)13(17)15-11(3)9-16-5-7-18-8-6-16;1-3-9(2)11(13)12(17)14-8-10(16)15-4-6-18-7-5-15/h9-11H,4-8,14H2,1-3H3,(H,15,17);10-12H,4-9,14H2,1-3H3,(H,15,17);9,11H,3-8,13H2,1-2H3,(H,14,17).
What are the key properties of 2-amino-3-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide?
2-amino-3-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide has a molecular weight of 786.07 g/mol, XLogP of -0.75, 16 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide is sourced from PubChem (CID 142295488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).