3-(5-hydroxypentanoylamino)-N,4-dimethylbenzamide

C14H20N2O3 — CID 79199583

IUPAC3-(5-hydroxypentanoylamino)-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)CCCCO)c1
InChIInChI=1S/C14H20N2O3/c1-10-6-7-11(14(19)15-2)9-12(10)16-13(18)5-3-4-8-17/h6-7,9,17H,3-5,8H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyFXSMZASEKKKDLX-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.46
Rot. Bonds6

About 3-(5-hydroxypentanoylamino)-N,4-dimethylbenzamide

3-(5-hydroxypentanoylamino)-N,4-dimethylbenzamide (PubChem CID 79199583) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(5-hydroxypentanoylamino)-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-(5-hydroxypentanoylamino)-N,4-dimethylbenzamide
PubChem CID79199583
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-(5-hydroxypentanoylamino)-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)CCCCO)c1
InChIInChI=1S/C14H20N2O3/c1-10-6-7-11(14(19)15-2)9-12(10)16-13(18)5-3-4-8-17/h6-7,9,17H,3-5,8H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyFXSMZASEKKKDLX-UHFFFAOYSA-N
XLogP1.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(5-hydroxypentanoylamino)-N,4-dimethylbenzamide 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

5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid
CID 60941385
3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide
CID 43711940
methyl 3-(4-hydroxybutanoylamino)-4-methylbenzoate
CID 79204686
N,4-dimethyl-3-[[2-(prop-2-enylamino)acetyl]amino]benzamide
CID 79285015
3-(3-aminobutanoylamino)-N,4-dimethylbenzamide
CID 60843540
3-(7-aminoheptanoylamino)-N-ethyl-4-methylbenzamide
CID 119714202
4-methyl-3-(octadecanoylamino)benzoic acid
CID 12800027
3-(5-chloropentanoylamino)-4-methylbenzoic acid
CID 43700873
N,4-dimethyl-3-[[2-[(2-phenylacetyl)amino]acetyl]amino]benzamide
CID 43073786
3-methyl-5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid
CID 62963858
4-(butanoylamino)-N,3-dimethylbenzamide
CID 61216786
3-[[2-(2-chlorophenyl)acetyl]amino]-N,4-dimethylbenzamide
CID 39132668

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxypentanoylamino)-N,4-dimethylbenzamide?
The IUPAC name of 3-(5-hydroxypentanoylamino)-N,4-dimethylbenzamide (CID 79199583) is 3-(5-hydroxypentanoylamino)-N,4-dimethylbenzamide.
What is the SMILES notation for 3-(5-hydroxypentanoylamino)-N,4-dimethylbenzamide?
The canonical SMILES for 3-(5-hydroxypentanoylamino)-N,4-dimethylbenzamide is CNC(=O)c1ccc(C)c(NC(=O)CCCCO)c1.
What is the InChIKey of 3-(5-hydroxypentanoylamino)-N,4-dimethylbenzamide?
The InChIKey is FXSMZASEKKKDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-6-7-11(14(19)15-2)9-12(10)16-13(18)5-3-4-8-17/h6-7,9,17H,3-5,8H2,1-2H3,(H,15,19)(H,16,18).
What are the key properties of 3-(5-hydroxypentanoylamino)-N,4-dimethylbenzamide?
3-(5-hydroxypentanoylamino)-N,4-dimethylbenzamide has a molecular weight of 264.32 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxypentanoylamino)-N,4-dimethylbenzamide is sourced from PubChem (CID 79199583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).