4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methoxybutanamide

C9H19N3O3 — CID 103156901

IUPAC4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methoxybutanamide
SMILESCCN(CC(N)=O)C(=O)CC(CN)OC
InChIInChI=1S/C9H19N3O3/c1-3-12(6-8(11)13)9(14)4-7(5-10)15-2/h7H,3-6,10H2,1-2H3,(H2,11,13)
InChIKeyMPOJJOOQVRSYJK-UHFFFAOYSA-N
MW217.27 g/mol
LogP-1.32
Rot. Bonds7

About 4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methoxybutanamide

4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methoxybutanamide (PubChem CID 103156901) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methoxybutanamide
PubChem CID103156901
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methoxybutanamide
SMILESCCN(CC(N)=O)C(=O)CC(CN)OC
InChIInChI=1S/C9H19N3O3/c1-3-12(6-8(11)13)9(14)4-7(5-10)15-2/h7H,3-6,10H2,1-2H3,(H2,11,13)
InChIKeyMPOJJOOQVRSYJK-UHFFFAOYSA-N
XLogP-1.32
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybutanamide
CID 103156201
4-amino-N-(2-amino-2-oxoethyl)-3-methoxy-N-propan-2-ylbutanamide
CID 103154388
4-amino-N,N-dibutyl-3-methoxybutanamide
CID 103154284
methyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate
CID 103155156
2-[ethyl-(2-methoxyacetyl)amino]acetamide
CID 103104209
4-amino-3-methoxy-N,N-bis(2-methoxyethyl)butanamide;hydrochloride
CID 120586450
4-amino-N-ethyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
CID 120589443
4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 120588742
4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-propylbutanamide;hydrochloride
CID 120591084
2-[(4-amino-3-methoxybutanoyl)-prop-2-ynylamino]acetic acid
CID 103156185
ethyl N-(2-amino-2-oxoethyl)-N-ethylcarbamate
CID 103104222
methyl N-(2-amino-2-oxoethyl)-N-ethylcarbamate
CID 103101669

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methoxybutanamide (CID 103156901) is 4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methoxybutanamide is CCN(CC(N)=O)C(=O)CC(CN)OC.
What is the InChIKey of 4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methoxybutanamide?
The InChIKey is MPOJJOOQVRSYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-3-12(6-8(11)13)9(14)4-7(5-10)15-2/h7H,3-6,10H2,1-2H3,(H2,11,13).
What are the key properties of 4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methoxybutanamide?
4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methoxybutanamide has a molecular weight of 217.27 g/mol, XLogP of -1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methoxybutanamide is sourced from PubChem (CID 103156901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).