2-ethoxy-N-[4-oxo-4-(N,3,5-trimethylanilino)butyl]benzamide

C22H28N2O3 — CID 55919133

IUPAC2-ethoxy-N-[4-oxo-4-(N,3,5-trimethylanilino)butyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)N(C)c1cc(C)cc(C)c1
InChIInChI=1S/C22H28N2O3/c1-5-27-20-10-7-6-9-19(20)22(26)23-12-8-11-21(25)24(4)18-14-16(2)13-17(3)15-18/h6-7,9-10,13-15H,5,8,11-12H2,1-4H3,(H,23,26)
InChIKeyZLNPVVPZNBWPGU-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.88
Rot. Bonds8

About 2-ethoxy-N-[4-oxo-4-(N,3,5-trimethylanilino)butyl]benzamide

2-ethoxy-N-[4-oxo-4-(N,3,5-trimethylanilino)butyl]benzamide (PubChem CID 55919133) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-ethoxy-N-[4-oxo-4-(N,3,5-trimethylanilino)butyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-oxo-4-(N,3,5-trimethylanilino)butyl]benzamide
PubChem CID55919133
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-ethoxy-N-[4-oxo-4-(N,3,5-trimethylanilino)butyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)N(C)c1cc(C)cc(C)c1
InChIInChI=1S/C22H28N2O3/c1-5-27-20-10-7-6-9-19(20)22(26)23-12-8-11-21(25)24(4)18-14-16(2)13-17(3)15-18/h6-7,9-10,13-15H,5,8,11-12H2,1-4H3,(H,23,26)
InChIKeyZLNPVVPZNBWPGU-UHFFFAOYSA-N
XLogP3.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.88
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-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
2-ethoxy-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 55427222
2-ethoxy-N-[4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-4-oxobutyl]benzamide
CID 38304030
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide
CID 134060964
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109
2-ethoxy-N-[4-[methyl(piperidin-4-yl)amino]-4-oxobutyl]benzamide
CID 119442533
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
2-ethoxy-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395275
N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide
CID 9084951
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508383

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-oxo-4-(N,3,5-trimethylanilino)butyl]benzamide?
The IUPAC name of 2-ethoxy-N-[4-oxo-4-(N,3,5-trimethylanilino)butyl]benzamide (CID 55919133) is 2-ethoxy-N-[4-oxo-4-(N,3,5-trimethylanilino)butyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[4-oxo-4-(N,3,5-trimethylanilino)butyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[4-oxo-4-(N,3,5-trimethylanilino)butyl]benzamide is CCOc1ccccc1C(=O)NCCCC(=O)N(C)c1cc(C)cc(C)c1.
What is the InChIKey of 2-ethoxy-N-[4-oxo-4-(N,3,5-trimethylanilino)butyl]benzamide?
The InChIKey is ZLNPVVPZNBWPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-5-27-20-10-7-6-9-19(20)22(26)23-12-8-11-21(25)24(4)18-14-16(2)13-17(3)15-18/h6-7,9-10,13-15H,5,8,11-12H2,1-4H3,(H,23,26).
What are the key properties of 2-ethoxy-N-[4-oxo-4-(N,3,5-trimethylanilino)butyl]benzamide?
2-ethoxy-N-[4-oxo-4-(N,3,5-trimethylanilino)butyl]benzamide has a molecular weight of 368.48 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-oxo-4-(N,3,5-trimethylanilino)butyl]benzamide is sourced from PubChem (CID 55919133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).