2-(N-acetyl-2-ethoxyanilino)-N-[3-(dimethylamino)propyl]acetamide

C17H27N3O3 — CID 113173694

IUPAC2-(N-acetyl-2-ethoxyanilino)-N-[3-(dimethylamino)propyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)NCCCN(C)C)C(C)=O
InChIInChI=1S/C17H27N3O3/c1-5-23-16-10-7-6-9-15(16)20(14(2)21)13-17(22)18-11-8-12-19(3)4/h6-7,9-10H,5,8,11-13H2,1-4H3,(H,18,22)
InChIKeyANLSHZAVRXTIJT-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.51
Rot. Bonds9

About 2-(N-acetyl-2-ethoxyanilino)-N-[3-(dimethylamino)propyl]acetamide

2-(N-acetyl-2-ethoxyanilino)-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 113173694) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(N-acetyl-2-ethoxyanilino)-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-ethoxyanilino)-N-[3-(dimethylamino)propyl]acetamide
PubChem CID113173694
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-(N-acetyl-2-ethoxyanilino)-N-[3-(dimethylamino)propyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)NCCCN(C)C)C(C)=O
InChIInChI=1S/C17H27N3O3/c1-5-23-16-10-7-6-9-15(16)20(14(2)21)13-17(22)18-11-8-12-19(3)4/h6-7,9-10H,5,8,11-13H2,1-4H3,(H,18,22)
InChIKeyANLSHZAVRXTIJT-UHFFFAOYSA-N
XLogP1.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-(N-acetyl-2-ethoxyanilino)acetamide
CID 113173812
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-2-methylpropanamide
CID 113060736
2-(N-acetyl-2-ethoxyanilino)-N-(2-chlorophenyl)acetamide
CID 113173783
2-(N-acetyl-2-ethoxyanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113173765
2-(N-acetyl-4-ethylanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113169224
N-(2-ethoxyphenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113060788
2-(N-acetyl-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113167668
2-(N-acetyl-2-ethoxyanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113173805
2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113172934
3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129327
2-(N-acetyl-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 113173145
3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113128712

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-ethoxyanilino)-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-(N-acetyl-2-ethoxyanilino)-N-[3-(dimethylamino)propyl]acetamide (CID 113173694) is 2-(N-acetyl-2-ethoxyanilino)-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2-ethoxyanilino)-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2-ethoxyanilino)-N-[3-(dimethylamino)propyl]acetamide is CCOc1ccccc1N(CC(=O)NCCCN(C)C)C(C)=O.
What is the InChIKey of 2-(N-acetyl-2-ethoxyanilino)-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is ANLSHZAVRXTIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-5-23-16-10-7-6-9-15(16)20(14(2)21)13-17(22)18-11-8-12-19(3)4/h6-7,9-10H,5,8,11-13H2,1-4H3,(H,18,22).
What are the key properties of 2-(N-acetyl-2-ethoxyanilino)-N-[3-(dimethylamino)propyl]acetamide?
2-(N-acetyl-2-ethoxyanilino)-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 321.42 g/mol, XLogP of 1.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-ethoxyanilino)-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 113173694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).