ethane;N-[2-hydroxy-3-[methyl(methylamino)amino]propyl]acetamide

C9H23N3O2 — CID 143072607

IUPACethane;N-[2-hydroxy-3-[methyl(methylamino)amino]propyl]acetamide
SMILESCC.CNN(C)CC(O)CNC(C)=O
InChIInChI=1S/C7H17N3O2.C2H6/c1-6(11)9-4-7(12)5-10(3)8-2;1-2/h7-8,12H,4-5H2,1-3H3,(H,9,11);1-2H3
InChIKeyUBZIRXUUUDNTLO-UHFFFAOYSA-N
MW205.30 g/mol
LogP-0.42
Rot. Bonds5

About ethane;N-[2-hydroxy-3-[methyl(methylamino)amino]propyl]acetamide

ethane;N-[2-hydroxy-3-[methyl(methylamino)amino]propyl]acetamide (PubChem CID 143072607) has the molecular formula C9H23N3O2 and a molecular weight of 205.30 g/mol. Its IUPAC name is ethane;N-[2-hydroxy-3-[methyl(methylamino)amino]propyl]acetamide.

Molecular Properties

Compound Nameethane;N-[2-hydroxy-3-[methyl(methylamino)amino]propyl]acetamide
PubChem CID143072607
Molecular FormulaC9H23N3O2
Molecular Weight205.30 g/mol
Exact Mass205.18
IUPAC Nameethane;N-[2-hydroxy-3-[methyl(methylamino)amino]propyl]acetamide
SMILESCC.CNN(C)CC(O)CNC(C)=O
InChIInChI=1S/C7H17N3O2.C2H6/c1-6(11)9-4-7(12)5-10(3)8-2;1-2/h7-8,12H,4-5H2,1-3H3,(H,9,11);1-2H3
InChIKeyUBZIRXUUUDNTLO-UHFFFAOYSA-N
XLogP-0.42
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethane;N-[2-hydroxy-3-[methyl(methylamino)amino]propyl]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

N-[3-[ethyl(propyl)amino]-2-hydroxypropyl]acetamide
CID 90250306
methyl N-(3-acetamido-2-hydroxypropyl)carbamate
CID 23527594
ethane;N-(2-methylpropyl)acetamide
CID 142232237
N-(2-hydroxy-3-methylsulfonylpropyl)acetamide
CID 165449735
1-iodo-2-[methyl(methylamino)amino]ethanol
CID 166768311
N-(2,6-dihydroxyhexyl)acetamide
CID 19031150
N-[(2S)-2-hydroxyheptyl]acetamide
CID 11686981
N-(3-acetamido-2-methylpropyl)acetamide
CID 20588188
N-[2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 110281363
N-(2,3-dihydroxybutyl)acetamide
CID 91533638
N-[(2S)-2-(methylamino)-3-oxobutyl]acetamide
CID 142343906
N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-2-methoxyacetamide
CID 90248628

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-hydroxy-3-[methyl(methylamino)amino]propyl]acetamide?
The IUPAC name of ethane;N-[2-hydroxy-3-[methyl(methylamino)amino]propyl]acetamide (CID 143072607) is ethane;N-[2-hydroxy-3-[methyl(methylamino)amino]propyl]acetamide.
What is the SMILES notation for ethane;N-[2-hydroxy-3-[methyl(methylamino)amino]propyl]acetamide?
The canonical SMILES for ethane;N-[2-hydroxy-3-[methyl(methylamino)amino]propyl]acetamide is CC.CNN(C)CC(O)CNC(C)=O.
What is the InChIKey of ethane;N-[2-hydroxy-3-[methyl(methylamino)amino]propyl]acetamide?
The InChIKey is UBZIRXUUUDNTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2.C2H6/c1-6(11)9-4-7(12)5-10(3)8-2;1-2/h7-8,12H,4-5H2,1-3H3,(H,9,11);1-2H3.
What are the key properties of ethane;N-[2-hydroxy-3-[methyl(methylamino)amino]propyl]acetamide?
ethane;N-[2-hydroxy-3-[methyl(methylamino)amino]propyl]acetamide has a molecular weight of 205.30 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-hydroxy-3-[methyl(methylamino)amino]propyl]acetamide is sourced from PubChem (CID 143072607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).