2-[acetyl(methyl)amino]-N-[(dimethylamino)methyl]-N-methylacetamide

C9H19N3O2 — CID 20652487

IUPAC2-[acetyl(methyl)amino]-N-[(dimethylamino)methyl]-N-methylacetamide
SMILESCC(=O)N(C)CC(=O)N(C)CN(C)C
InChIInChI=1S/C9H19N3O2/c1-8(13)11(4)6-9(14)12(5)7-10(2)3/h6-7H2,1-5H3
InChIKeyYRJBFVUVIGTMRB-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.56
Rot. Bonds4

About 2-[acetyl(methyl)amino]-N-[(dimethylamino)methyl]-N-methylacetamide

2-[acetyl(methyl)amino]-N-[(dimethylamino)methyl]-N-methylacetamide (PubChem CID 20652487) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-[(dimethylamino)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-[(dimethylamino)methyl]-N-methylacetamide
PubChem CID20652487
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-[acetyl(methyl)amino]-N-[(dimethylamino)methyl]-N-methylacetamide
SMILESCC(=O)N(C)CC(=O)N(C)CN(C)C
InChIInChI=1S/C9H19N3O2/c1-8(13)11(4)6-9(14)12(5)7-10(2)3/h6-7H2,1-5H3
InChIKeyYRJBFVUVIGTMRB-UHFFFAOYSA-N
XLogP-0.56
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-[(dimethylamino)methyl]-N-methylacetamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-[(dimethylamino)methyl]-N-methylacetamide (CID 20652487) is 2-[acetyl(methyl)amino]-N-[(dimethylamino)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-[(dimethylamino)methyl]-N-methylacetamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-[(dimethylamino)methyl]-N-methylacetamide is CC(=O)N(C)CC(=O)N(C)CN(C)C.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-[(dimethylamino)methyl]-N-methylacetamide?
The InChIKey is YRJBFVUVIGTMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-8(13)11(4)6-9(14)12(5)7-10(2)3/h6-7H2,1-5H3.
What are the key properties of 2-[acetyl(methyl)amino]-N-[(dimethylamino)methyl]-N-methylacetamide?
2-[acetyl(methyl)amino]-N-[(dimethylamino)methyl]-N-methylacetamide has a molecular weight of 201.27 g/mol, XLogP of -0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-[(dimethylamino)methyl]-N-methylacetamide is sourced from PubChem (CID 20652487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).