N-[acetamido-[4-(dimethylamino)phenyl]methyl]acetamide

C13H19N3O2 — CID 853046

IUPACN-[acetamido-[4-(dimethylamino)phenyl]methyl]acetamide
SMILESCC(=O)NC(NC(C)=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H19N3O2/c1-9(17)14-13(15-10(2)18)11-5-7-12(8-6-11)16(3)4/h5-8,13H,1-4H3,(H,14,17)(H,15,18)
InChIKeyYYPJDXAXWCIFEK-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.02
Rot. Bonds4

About N-[acetamido-[4-(dimethylamino)phenyl]methyl]acetamide

N-[acetamido-[4-(dimethylamino)phenyl]methyl]acetamide (PubChem CID 853046) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[acetamido-[4-(dimethylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[acetamido-[4-(dimethylamino)phenyl]methyl]acetamide
PubChem CID853046
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[acetamido-[4-(dimethylamino)phenyl]methyl]acetamide
SMILESCC(=O)NC(NC(C)=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H19N3O2/c1-9(17)14-13(15-10(2)18)11-5-7-12(8-6-11)16(3)4/h5-8,13H,1-4H3,(H,14,17)(H,15,18)
InChIKeyYYPJDXAXWCIFEK-UHFFFAOYSA-N
XLogP1.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
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 N-[acetamido-[4-(dimethylamino)phenyl]methyl]acetamide?
The IUPAC name of N-[acetamido-[4-(dimethylamino)phenyl]methyl]acetamide (CID 853046) is N-[acetamido-[4-(dimethylamino)phenyl]methyl]acetamide.
What is the SMILES notation for N-[acetamido-[4-(dimethylamino)phenyl]methyl]acetamide?
The canonical SMILES for N-[acetamido-[4-(dimethylamino)phenyl]methyl]acetamide is CC(=O)NC(NC(C)=O)c1ccc(N(C)C)cc1.
What is the InChIKey of N-[acetamido-[4-(dimethylamino)phenyl]methyl]acetamide?
The InChIKey is YYPJDXAXWCIFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(17)14-13(15-10(2)18)11-5-7-12(8-6-11)16(3)4/h5-8,13H,1-4H3,(H,14,17)(H,15,18).
What are the key properties of N-[acetamido-[4-(dimethylamino)phenyl]methyl]acetamide?
N-[acetamido-[4-(dimethylamino)phenyl]methyl]acetamide has a molecular weight of 249.31 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[acetamido-[4-(dimethylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 853046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).