5-acetyl-N-[1-(diethylamino)ethyl]-2-methoxy-3-methylbenzamide

C17H26N2O3 — CID 20561656

IUPAC5-acetyl-N-[1-(diethylamino)ethyl]-2-methoxy-3-methylbenzamide
SMILESCCN(CC)C(C)NC(=O)c1cc(C(C)=O)cc(C)c1OC
InChIInChI=1S/C17H26N2O3/c1-7-19(8-2)13(5)18-17(21)15-10-14(12(4)20)9-11(3)16(15)22-6/h9-10,13H,7-8H2,1-6H3,(H,18,21)
InChIKeyVHMUTWGVXMKMDQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.62
Rot. Bonds7

About 5-acetyl-N-[1-(diethylamino)ethyl]-2-methoxy-3-methylbenzamide

5-acetyl-N-[1-(diethylamino)ethyl]-2-methoxy-3-methylbenzamide (PubChem CID 20561656) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-acetyl-N-[1-(diethylamino)ethyl]-2-methoxy-3-methylbenzamide.

Molecular Properties

Compound Name5-acetyl-N-[1-(diethylamino)ethyl]-2-methoxy-3-methylbenzamide
PubChem CID20561656
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name5-acetyl-N-[1-(diethylamino)ethyl]-2-methoxy-3-methylbenzamide
SMILESCCN(CC)C(C)NC(=O)c1cc(C(C)=O)cc(C)c1OC
InChIInChI=1S/C17H26N2O3/c1-7-19(8-2)13(5)18-17(21)15-10-14(12(4)20)9-11(3)16(15)22-6/h9-10,13H,7-8H2,1-6H3,(H,18,21)
InChIKeyVHMUTWGVXMKMDQ-UHFFFAOYSA-N
XLogP2.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-acetyl-N-[1-(diethylamino)ethyl]-2-methoxy-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(diethylamino)ethyl]-5-(ethylsulfonylamino)-2-methoxy-3-methylbenzamide
CID 20561651
1-(3-acetyl-4-methoxy-5-methylphenyl)ethanone
CID 158699125
5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide
CID 110762952
N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide
CID 23064668
4-methoxy-3,5-dimethyl-N-[(3R)-5-methyl-2-oxohexan-3-yl]benzamide
CID 143001988
(2S,3S)-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-3-methylpentanoic acid
CID 120686080
5-bromo-N-[1-(diethylamino)ethyl]-2,3-dimethoxy-6-nitrobenzamide;hydrochloride
CID 88514289
1-[4-methoxy-3-methyl-5-(trifluoromethyl)phenyl]ethanone
CID 170996803
N-(3-amino-2-methylpropyl)-2-methoxy-3,5-dimethylbenzamide
CID 115271616
1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone
CID 131525563
2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 120686259
N-ethyl-3,4-dimethoxy-5-methylbenzamide
CID 70790731

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[1-(diethylamino)ethyl]-2-methoxy-3-methylbenzamide?
The IUPAC name of 5-acetyl-N-[1-(diethylamino)ethyl]-2-methoxy-3-methylbenzamide (CID 20561656) is 5-acetyl-N-[1-(diethylamino)ethyl]-2-methoxy-3-methylbenzamide.
What is the SMILES notation for 5-acetyl-N-[1-(diethylamino)ethyl]-2-methoxy-3-methylbenzamide?
The canonical SMILES for 5-acetyl-N-[1-(diethylamino)ethyl]-2-methoxy-3-methylbenzamide is CCN(CC)C(C)NC(=O)c1cc(C(C)=O)cc(C)c1OC.
What is the InChIKey of 5-acetyl-N-[1-(diethylamino)ethyl]-2-methoxy-3-methylbenzamide?
The InChIKey is VHMUTWGVXMKMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-7-19(8-2)13(5)18-17(21)15-10-14(12(4)20)9-11(3)16(15)22-6/h9-10,13H,7-8H2,1-6H3,(H,18,21).
What are the key properties of 5-acetyl-N-[1-(diethylamino)ethyl]-2-methoxy-3-methylbenzamide?
5-acetyl-N-[1-(diethylamino)ethyl]-2-methoxy-3-methylbenzamide has a molecular weight of 306.41 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[1-(diethylamino)ethyl]-2-methoxy-3-methylbenzamide is sourced from PubChem (CID 20561656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).