N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-isocyano-N-methylacetamide

C10H19N3O2 — CID 20664939

IUPACN-[2-[2-(dimethylamino)ethoxy]ethyl]-2-isocyano-N-methylacetamide
SMILES[C-]#[N+]CC(=O)N(C)CCOCCN(C)C
InChIInChI=1S/C10H19N3O2/c1-11-9-10(14)13(4)6-8-15-7-5-12(2)3/h5-9H2,2-4H3
InChIKeyMXQUGGJRCSJHQO-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.06
Rot. Bonds7

About N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-isocyano-N-methylacetamide

N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-isocyano-N-methylacetamide (PubChem CID 20664939) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-isocyano-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-2-isocyano-N-methylacetamide
PubChem CID20664939
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-2-isocyano-N-methylacetamide
SMILES[C-]#[N+]CC(=O)N(C)CCOCCN(C)C
InChIInChI=1S/C10H19N3O2/c1-11-9-10(14)13(4)6-8-15-7-5-12(2)3/h5-9H2,2-4H3
InChIKeyMXQUGGJRCSJHQO-UHFFFAOYSA-N
XLogP-0.06
TPSA37.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-isocyano-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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-isocyano-N-methylacetamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-isocyano-N-methylacetamide (CID 20664939) is N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-isocyano-N-methylacetamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-isocyano-N-methylacetamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-isocyano-N-methylacetamide is [C-]#[N+]CC(=O)N(C)CCOCCN(C)C.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-isocyano-N-methylacetamide?
The InChIKey is MXQUGGJRCSJHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-11-9-10(14)13(4)6-8-15-7-5-12(2)3/h5-9H2,2-4H3.
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-isocyano-N-methylacetamide?
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-isocyano-N-methylacetamide has a molecular weight of 213.28 g/mol, XLogP of -0.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-isocyano-N-methylacetamide is sourced from PubChem (CID 20664939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).