N-(2-acetamidoethyl)-4-(diethylamino)benzamide

C15H23N3O2 — CID 2481626

IUPACN-(2-acetamidoethyl)-4-(diethylamino)benzamide
SMILESCCN(CC)c1ccc(C(=O)NCCNC(C)=O)cc1
InChIInChI=1S/C15H23N3O2/c1-4-18(5-2)14-8-6-13(7-9-14)15(20)17-11-10-16-12(3)19/h6-9H,4-5,10-11H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyNSMMRHSILYDHPW-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.40
Rot. Bonds7

About N-(2-acetamidoethyl)-4-(diethylamino)benzamide

N-(2-acetamidoethyl)-4-(diethylamino)benzamide (PubChem CID 2481626) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-(diethylamino)benzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-(diethylamino)benzamide
PubChem CID2481626
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(2-acetamidoethyl)-4-(diethylamino)benzamide
SMILESCCN(CC)c1ccc(C(=O)NCCNC(C)=O)cc1
InChIInChI=1S/C15H23N3O2/c1-4-18(5-2)14-8-6-13(7-9-14)15(20)17-11-10-16-12(3)19/h6-9H,4-5,10-11H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyNSMMRHSILYDHPW-UHFFFAOYSA-N
XLogP1.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(diethylamino)-N-(4-hydroxybutyl)benzamide
CID 106843290
4-(diethylamino)-N-(3-methoxypropyl)benzamide
CID 17310827
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide
CID 11638289
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-(2-acetamidoethyl)-4-butan-2-ylbenzamide
CID 110761277
N-(2-acetamidoethyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 9467905
N-[2-[4-(diethylamino)-N-methylsulfonylanilino]ethyl]acetamide
CID 113071325
4-(diethylamino)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide
CID 7929054
N-(2-acetamidoethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43553032
methyl 4-[[[4-(diethylamino)benzoyl]amino]carbamoyl]benzoate
CID 9156446
4-(diethylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 107846242

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-(diethylamino)benzamide?
The IUPAC name of N-(2-acetamidoethyl)-4-(diethylamino)benzamide (CID 2481626) is N-(2-acetamidoethyl)-4-(diethylamino)benzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-(diethylamino)benzamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-(diethylamino)benzamide is CCN(CC)c1ccc(C(=O)NCCNC(C)=O)cc1.
What is the InChIKey of N-(2-acetamidoethyl)-4-(diethylamino)benzamide?
The InChIKey is NSMMRHSILYDHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-18(5-2)14-8-6-13(7-9-14)15(20)17-11-10-16-12(3)19/h6-9H,4-5,10-11H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N-(2-acetamidoethyl)-4-(diethylamino)benzamide?
N-(2-acetamidoethyl)-4-(diethylamino)benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-(diethylamino)benzamide is sourced from PubChem (CID 2481626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).