2-(N-acetyl-4-ethylanilino)-N-[3-(dimethylamino)propyl]acetamide

C17H27N3O2 — CID 113169224

IUPAC2-(N-acetyl-4-ethylanilino)-N-[3-(dimethylamino)propyl]acetamide
SMILESCCc1ccc(N(CC(=O)NCCCN(C)C)C(C)=O)cc1
InChIInChI=1S/C17H27N3O2/c1-5-15-7-9-16(10-8-15)20(14(2)21)13-17(22)18-11-6-12-19(3)4/h7-10H,5-6,11-13H2,1-4H3,(H,18,22)
InChIKeyUTPRJUPWUKJVFB-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.67
Rot. Bonds8

About 2-(N-acetyl-4-ethylanilino)-N-[3-(dimethylamino)propyl]acetamide

2-(N-acetyl-4-ethylanilino)-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 113169224) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(N-acetyl-4-ethylanilino)-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-ethylanilino)-N-[3-(dimethylamino)propyl]acetamide
PubChem CID113169224
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-(N-acetyl-4-ethylanilino)-N-[3-(dimethylamino)propyl]acetamide
SMILESCCc1ccc(N(CC(=O)NCCCN(C)C)C(C)=O)cc1
InChIInChI=1S/C17H27N3O2/c1-5-15-7-9-16(10-8-15)20(14(2)21)13-17(22)18-11-6-12-19(3)4/h7-10H,5-6,11-13H2,1-4H3,(H,18,22)
InChIKeyUTPRJUPWUKJVFB-UHFFFAOYSA-N
XLogP1.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.67
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

2-(N-acetyl-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113167668
2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113172934
N-[3-(dimethylamino)propyl]-N-(4-ethylphenyl)acetamide
CID 137469739
2-(N-acetyl-4-ethylanilino)-N-(2-phenylethyl)acetamide
CID 113169247
2-(N-acetyl-3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113172179
2-(N-acetyl-3-fluoroanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113177580
2-(N-acetyl-4-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 113167666
2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-phenylpropyl)acetamide
CID 113176712
2-(N-acetyl-4-ethylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 113169241
2-(N-acetyl-2-ethoxyanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113173694
N-[3-(dimethylamino)propyl]-3-(4-ethylphenoxy)propanamide
CID 108795819
2-(N-acetyl-4-ethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 113169240

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-ethylanilino)-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-(N-acetyl-4-ethylanilino)-N-[3-(dimethylamino)propyl]acetamide (CID 113169224) is 2-(N-acetyl-4-ethylanilino)-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-4-ethylanilino)-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-(N-acetyl-4-ethylanilino)-N-[3-(dimethylamino)propyl]acetamide is CCc1ccc(N(CC(=O)NCCCN(C)C)C(C)=O)cc1.
What is the InChIKey of 2-(N-acetyl-4-ethylanilino)-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is UTPRJUPWUKJVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-5-15-7-9-16(10-8-15)20(14(2)21)13-17(22)18-11-6-12-19(3)4/h7-10H,5-6,11-13H2,1-4H3,(H,18,22).
What are the key properties of 2-(N-acetyl-4-ethylanilino)-N-[3-(dimethylamino)propyl]acetamide?
2-(N-acetyl-4-ethylanilino)-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 305.42 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-ethylanilino)-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 113169224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).