4-methyl-N-[5-(2-methylbutoxy)pentyl]benzamide

C18H29NO2 — CID 58301485

IUPAC4-methyl-N-[5-(2-methylbutoxy)pentyl]benzamide
SMILESCCC(C)COCCCCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C18H29NO2/c1-4-15(2)14-21-13-7-5-6-12-19-18(20)17-10-8-16(3)9-11-17/h8-11,15H,4-7,12-14H2,1-3H3,(H,19,20)
InChIKeyDUTAXTKRJSPJFP-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.96
Rot. Bonds10

About 4-methyl-N-[5-(2-methylbutoxy)pentyl]benzamide

4-methyl-N-[5-(2-methylbutoxy)pentyl]benzamide (PubChem CID 58301485) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-methyl-N-[5-(2-methylbutoxy)pentyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[5-(2-methylbutoxy)pentyl]benzamide
PubChem CID58301485
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name4-methyl-N-[5-(2-methylbutoxy)pentyl]benzamide
SMILESCCC(C)COCCCCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C18H29NO2/c1-4-15(2)14-21-13-7-5-6-12-19-18(20)17-10-8-16(3)9-11-17/h8-11,15H,4-7,12-14H2,1-3H3,(H,19,20)
InChIKeyDUTAXTKRJSPJFP-UHFFFAOYSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[5-(2-methylbutoxy)pentyl]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-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
N-(3-aminooxypropyl)-4-methylbenzamide
CID 39242066
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
N-[5-(diethylamino)pentyl]-4-methylbenzamide
CID 110440389
4-methyl-N-[2-(2-propoxyethylamino)ethyl]benzamide
CID 106451707
N-dodecyl-4-[(4-methylphenyl)diazenyl]benzamide
CID 141482420
N-heptyl-4-propan-2-yloxybenzamide
CID 4951873
4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide
CID 17233376
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
4-methyl-N-(4-oxopentyl)benzamide
CID 86117000
N-(2-aminooxyethyl)-4-methylbenzamide
CID 39239063
N-[3-(2-methylpropoxy)propyl]-4-sulfamoylbenzamide
CID 103606595

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(2-methylbutoxy)pentyl]benzamide?
The IUPAC name of 4-methyl-N-[5-(2-methylbutoxy)pentyl]benzamide (CID 58301485) is 4-methyl-N-[5-(2-methylbutoxy)pentyl]benzamide.
What is the SMILES notation for 4-methyl-N-[5-(2-methylbutoxy)pentyl]benzamide?
The canonical SMILES for 4-methyl-N-[5-(2-methylbutoxy)pentyl]benzamide is CCC(C)COCCCCCNC(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[5-(2-methylbutoxy)pentyl]benzamide?
The InChIKey is DUTAXTKRJSPJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-15(2)14-21-13-7-5-6-12-19-18(20)17-10-8-16(3)9-11-17/h8-11,15H,4-7,12-14H2,1-3H3,(H,19,20).
What are the key properties of 4-methyl-N-[5-(2-methylbutoxy)pentyl]benzamide?
4-methyl-N-[5-(2-methylbutoxy)pentyl]benzamide has a molecular weight of 291.44 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(2-methylbutoxy)pentyl]benzamide is sourced from PubChem (CID 58301485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).