N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide

C13H20N2O2 — CID 71811695

IUPACN-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCCCN(C)C)c1
InChIInChI=1S/C13H20N2O2/c1-11(16)14-12-6-4-7-13(10-12)17-9-5-8-15(2)3/h4,6-7,10H,5,8-9H2,1-3H3,(H,14,16)
InChIKeyOHYBQMCCSDYJKT-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.98
Rot. Bonds6

About N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide

N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide (PubChem CID 71811695) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
PubChem CID71811695
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC NameN-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCCCN(C)C)c1
InChIInChI=1S/C13H20N2O2/c1-11(16)14-12-6-4-7-13(10-12)17-9-5-8-15(2)3/h4,6-7,10H,5,8-9H2,1-3H3,(H,14,16)
InChIKeyOHYBQMCCSDYJKT-UHFFFAOYSA-N
XLogP1.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-(dimethylamino)propoxy]phenyl]-4-(methylamino)butanamide
CID 119885809
N-[3-(4-oxopentoxy)phenyl]acetamide
CID 62030070
N-[3-(5-hydroxypentoxy)phenyl]acetamide
CID 62229002
2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-phenylpropanamide
CID 120596891
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethylpropanamide
CID 60776296
N-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide
CID 119885879
2-amino-N-[3-[3-(dimethylamino)propoxy]phenyl]-2-methylpentanamide;dihydrochloride
CID 119885880
N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 60776294
N-[3-[3-(dimethylamino)propoxy]-4-iodophenyl]acetamide
CID 67633417
methyl 2-[3-[3-(dimethylamino)propoxy]phenyl]acetate
CID 153300961
butyl 2-(3-acetamidophenoxy)acetate
CID 54941709
2-(aminomethyl)-N-[3-[3-(dimethylamino)propoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 119885857

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide?
The IUPAC name of N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide (CID 71811695) is N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide is CC(=O)Nc1cccc(OCCCN(C)C)c1.
What is the InChIKey of N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide?
The InChIKey is OHYBQMCCSDYJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11(16)14-12-6-4-7-13(10-12)17-9-5-8-15(2)3/h4,6-7,10H,5,8-9H2,1-3H3,(H,14,16).
What are the key properties of N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide?
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide has a molecular weight of 236.32 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide is sourced from PubChem (CID 71811695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).