4-acetyl-N-[6-(methylamino)hexyl]benzamide

C16H24N2O2 — CID 54472432

IUPAC4-acetyl-N-[6-(methylamino)hexyl]benzamide
SMILESCNCCCCCCNC(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C16H24N2O2/c1-13(19)14-7-9-15(10-8-14)16(20)18-12-6-4-3-5-11-17-2/h7-10,17H,3-6,11-12H2,1-2H3,(H,18,20)
InChIKeyXJGMQVALTGLPLP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.40
Rot. Bonds9

About 4-acetyl-N-[6-(methylamino)hexyl]benzamide

4-acetyl-N-[6-(methylamino)hexyl]benzamide (PubChem CID 54472432) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-acetyl-N-[6-(methylamino)hexyl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-[6-(methylamino)hexyl]benzamide
PubChem CID54472432
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-acetyl-N-[6-(methylamino)hexyl]benzamide
SMILESCNCCCCCCNC(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C16H24N2O2/c1-13(19)14-7-9-15(10-8-14)16(20)18-12-6-4-3-5-11-17-2/h7-10,17H,3-6,11-12H2,1-2H3,(H,18,20)
InChIKeyXJGMQVALTGLPLP-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-acetyl-N-[6-(methylamino)hexyl]benzamide 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

4-[4-[2-[4-(4-acetylphenoxy)phenyl]propan-2-yl]phenoxy]-N-[6-(methylamino)hexyl]benzamide
CID 59187912
4-acetyl-N-(6-oxoheptyl)benzamide
CID 59029593
4-N-[13-(methylamino)-6-oxotridecyl]-1-N-(6-oxoheptyl)benzene-1,4-dicarboxamide
CID 153153765
5-[(4-acetylbenzoyl)amino]pentanoic acid
CID 119234275
methyl 7-[(4-acetylbenzoyl)amino]heptanoate
CID 163207825
3-[(4-acetylbenzoyl)amino]propylcarbamic acid
CID 130234189
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
N-decyl-4-sulfanylbenzamide
CID 107032455
N-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride
CID 119433201
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
4-(tribromomethoxy)-N-[7-[[4-(tribromomethoxy)benzoyl]amino]heptyl]benzamide
CID 21452884

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[6-(methylamino)hexyl]benzamide?
The IUPAC name of 4-acetyl-N-[6-(methylamino)hexyl]benzamide (CID 54472432) is 4-acetyl-N-[6-(methylamino)hexyl]benzamide.
What is the SMILES notation for 4-acetyl-N-[6-(methylamino)hexyl]benzamide?
The canonical SMILES for 4-acetyl-N-[6-(methylamino)hexyl]benzamide is CNCCCCCCNC(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N-[6-(methylamino)hexyl]benzamide?
The InChIKey is XJGMQVALTGLPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(19)14-7-9-15(10-8-14)16(20)18-12-6-4-3-5-11-17-2/h7-10,17H,3-6,11-12H2,1-2H3,(H,18,20).
What are the key properties of 4-acetyl-N-[6-(methylamino)hexyl]benzamide?
4-acetyl-N-[6-(methylamino)hexyl]benzamide has a molecular weight of 276.38 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[6-(methylamino)hexyl]benzamide is sourced from PubChem (CID 54472432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).