N-(3-hydroxybutyl)-2-(2-methoxyethylamino)-N-methylacetamide

C10H22N2O3 — CID 115740129

IUPACN-(3-hydroxybutyl)-2-(2-methoxyethylamino)-N-methylacetamide
SMILESCOCCNCC(=O)N(C)CCC(C)O
InChIInChI=1S/C10H22N2O3/c1-9(13)4-6-12(2)10(14)8-11-5-7-15-3/h9,11,13H,4-8H2,1-3H3
InChIKeyALRXIPNGOGCHNS-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.55
Rot. Bonds8

About N-(3-hydroxybutyl)-2-(2-methoxyethylamino)-N-methylacetamide

N-(3-hydroxybutyl)-2-(2-methoxyethylamino)-N-methylacetamide (PubChem CID 115740129) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-2-(2-methoxyethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-2-(2-methoxyethylamino)-N-methylacetamide
PubChem CID115740129
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC NameN-(3-hydroxybutyl)-2-(2-methoxyethylamino)-N-methylacetamide
SMILESCOCCNCC(=O)N(C)CCC(C)O
InChIInChI=1S/C10H22N2O3/c1-9(13)4-6-12(2)10(14)8-11-5-7-15-3/h9,11,13H,4-8H2,1-3H3
InChIKeyALRXIPNGOGCHNS-UHFFFAOYSA-N
XLogP-0.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-hydroxybutyl)-2-(2-methoxyethylamino)-N-methylacetamide 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-[[2-(2-methoxyethylamino)acetyl]-methylamino]propanoic acid
CID 79282817
N-(2-amino-2-oxoethyl)-2-(2-methoxyethylamino)-N-methylacetamide
CID 79281885
methyl 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]-2-methylpropanoate
CID 79282082
2-(2-methoxyethylamino)-N-propan-2-yl-N-propylacetamide
CID 79280705
2-(2-methoxyethylamino)-N-methyl-N-[1-(1-methylcyclopropyl)ethyl]acetamide
CID 119820449
N-[2-(4-bromophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 119771057
N-cyclopropyl-2-(2-methoxyethylamino)-N-(3-methylbutyl)acetamide
CID 79282070
N-butan-2-yl-N-ethyl-2-(2-methoxyethylamino)acetamide
CID 79281144
N-(cyclobutylmethyl)-2-(2-methoxyethylamino)-N-methylacetamide
CID 79282440
N-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylacetamide
CID 62843102
2-(2-methoxyethylamino)-N-methyl-N-(3-methylsulfonylbutan-2-yl)acetamide;hydrochloride
CID 119786618
N-(1-ethylsulfonylpropan-2-yl)-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119786374

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-2-(2-methoxyethylamino)-N-methylacetamide?
The IUPAC name of N-(3-hydroxybutyl)-2-(2-methoxyethylamino)-N-methylacetamide (CID 115740129) is N-(3-hydroxybutyl)-2-(2-methoxyethylamino)-N-methylacetamide.
What is the SMILES notation for N-(3-hydroxybutyl)-2-(2-methoxyethylamino)-N-methylacetamide?
The canonical SMILES for N-(3-hydroxybutyl)-2-(2-methoxyethylamino)-N-methylacetamide is COCCNCC(=O)N(C)CCC(C)O.
What is the InChIKey of N-(3-hydroxybutyl)-2-(2-methoxyethylamino)-N-methylacetamide?
The InChIKey is ALRXIPNGOGCHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-9(13)4-6-12(2)10(14)8-11-5-7-15-3/h9,11,13H,4-8H2,1-3H3.
What are the key properties of N-(3-hydroxybutyl)-2-(2-methoxyethylamino)-N-methylacetamide?
N-(3-hydroxybutyl)-2-(2-methoxyethylamino)-N-methylacetamide has a molecular weight of 218.30 g/mol, XLogP of -0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-2-(2-methoxyethylamino)-N-methylacetamide is sourced from PubChem (CID 115740129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).