2-[(4-amino-3-ethoxybutyl)-methylamino]acetamide

C9H21N3O2 — CID 63070450

IUPAC2-[(4-amino-3-ethoxybutyl)-methylamino]acetamide
SMILESCCOC(CN)CCN(C)CC(N)=O
InChIInChI=1S/C9H21N3O2/c1-3-14-8(6-10)4-5-12(2)7-9(11)13/h8H,3-7,10H2,1-2H3,(H2,11,13)
InChIKeyRMLWOLCDJXKEQW-UHFFFAOYSA-N
MW203.29 g/mol
LogP-0.84
Rot. Bonds8

About 2-[(4-amino-3-ethoxybutyl)-methylamino]acetamide

2-[(4-amino-3-ethoxybutyl)-methylamino]acetamide (PubChem CID 63070450) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-[(4-amino-3-ethoxybutyl)-methylamino]acetamide.

Molecular Properties

Compound Name2-[(4-amino-3-ethoxybutyl)-methylamino]acetamide
PubChem CID63070450
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name2-[(4-amino-3-ethoxybutyl)-methylamino]acetamide
SMILESCCOC(CN)CCN(C)CC(N)=O
InChIInChI=1S/C9H21N3O2/c1-3-14-8(6-10)4-5-12(2)7-9(11)13/h8H,3-7,10H2,1-2H3,(H2,11,13)
InChIKeyRMLWOLCDJXKEQW-UHFFFAOYSA-N
XLogP-0.84
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-amino-3-ethoxybutyl)-methylamino]acetamide 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

(2R)-2-ethoxy-N',N'-dimethylbutane-1,4-diamine
CID 95006031
1-[(4-amino-3-ethoxybutyl)-methylamino]-3-methoxypropan-2-ol
CID 63070098
N'-cyclopropyl-2-ethoxy-N'-methylbutane-1,4-diamine
CID 63069693
2-ethoxy-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine
CID 63070283
2-[(3-amino-2-ethoxypropyl)-methylamino]-N-cyclopropylacetamide
CID 63070047
2-ethoxy-N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 63071613
2-ethoxy-N'-ethyl-N'-methylpropane-1,3-diamine
CID 63070797
2-[butyl(methyl)amino]acetamide
CID 22371777
N'-[3-(diethylamino)propyl]-2-ethoxy-N'-ethylbutane-1,4-diamine
CID 102991675
2-[2-(dimethylamino)ethyl-methylamino]acetamide
CID 23154890
2-[(4-amino-3-ethoxybutanoyl)-(carboxymethyl)amino]acetic acid
CID 114227443
2-[(4-amino-3-ethoxybutyl)-cyclohexylamino]ethanol
CID 63070100

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-ethoxybutyl)-methylamino]acetamide?
The IUPAC name of 2-[(4-amino-3-ethoxybutyl)-methylamino]acetamide (CID 63070450) is 2-[(4-amino-3-ethoxybutyl)-methylamino]acetamide.
What is the SMILES notation for 2-[(4-amino-3-ethoxybutyl)-methylamino]acetamide?
The canonical SMILES for 2-[(4-amino-3-ethoxybutyl)-methylamino]acetamide is CCOC(CN)CCN(C)CC(N)=O.
What is the InChIKey of 2-[(4-amino-3-ethoxybutyl)-methylamino]acetamide?
The InChIKey is RMLWOLCDJXKEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-3-14-8(6-10)4-5-12(2)7-9(11)13/h8H,3-7,10H2,1-2H3,(H2,11,13).
What are the key properties of 2-[(4-amino-3-ethoxybutyl)-methylamino]acetamide?
2-[(4-amino-3-ethoxybutyl)-methylamino]acetamide has a molecular weight of 203.29 g/mol, XLogP of -0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-ethoxybutyl)-methylamino]acetamide is sourced from PubChem (CID 63070450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).