3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide

C9H19N3O3 — CID 115738068

IUPAC3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
SMILESCOCCNC(=O)CNC(=O)CC(C)N
InChIInChI=1S/C9H19N3O3/c1-7(10)5-8(13)12-6-9(14)11-3-4-15-2/h7H,3-6,10H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyYWDLQYUWPUUTHO-UHFFFAOYSA-N
MW217.27 g/mol
LogP-1.40
Rot. Bonds7

About 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide

3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide (PubChem CID 115738068) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
PubChem CID115738068
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
SMILESCOCCNC(=O)CNC(=O)CC(C)N
InChIInChI=1S/C9H19N3O3/c1-7(10)5-8(13)12-6-9(14)11-3-4-15-2/h7H,3-6,10H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyYWDLQYUWPUUTHO-UHFFFAOYSA-N
XLogP-1.40
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4,4-dimethylpentanamide
CID 113405165
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 103794285
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119695009
methyl 2-(3-aminobutanoylamino)acetate
CID 60914832
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
CID 115733671
2-methylpropyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate
CID 126007916
2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide;hydrochloride
CID 119695004
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
N-(2-methoxyethyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide
CID 112683626
5-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]pentanamide
CID 112549769
N-(2-methoxyethyl)-2-(1-methoxypropan-2-ylcarbamothioylamino)acetamide
CID 115573844
2-amino-3-hydroxy-N-(2-methoxyethyl)propanamide
CID 59658304

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide?
The IUPAC name of 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide (CID 115738068) is 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide?
The canonical SMILES for 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide is COCCNC(=O)CNC(=O)CC(C)N.
What is the InChIKey of 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide?
The InChIKey is YWDLQYUWPUUTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-7(10)5-8(13)12-6-9(14)11-3-4-15-2/h7H,3-6,10H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide?
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide has a molecular weight of 217.27 g/mol, XLogP of -1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 115738068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).