3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide

C14H20N2O3 — CID 79204866

IUPAC3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CCC(C)O)c1C
InChIInChI=1S/C14H20N2O3/c1-9(17)7-8-13(18)16-12-6-4-5-11(10(12)2)14(19)15-3/h4-6,9,17H,7-8H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyFZPAWGNAJIYFPB-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.45
Rot. Bonds5

About 3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide

3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide (PubChem CID 79204866) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide
PubChem CID79204866
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)CCC(C)O)c1C
InChIInChI=1S/C14H20N2O3/c1-9(17)7-8-13(18)16-12-6-4-5-11(10(12)2)14(19)15-3/h4-6,9,17H,7-8H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyFZPAWGNAJIYFPB-UHFFFAOYSA-N
XLogP1.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-methyl-3-(methylcarbamoyl)anilino]-6-oxohexanoic acid
CID 60940913
3-[3-(ethylamino)propanoylamino]-N,2-dimethylbenzamide
CID 62835659
N-(3-fluoro-2-methylphenyl)-4-hydroxypentanamide
CID 79192494
3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide
CID 54996136
3-[(3-chloro-2-methylpropanoyl)amino]-N,2-dimethylbenzamide
CID 55110621
4-hydroxy-N-(2-methylphenyl)pentanamide
CID 79017195
2-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethoxy]acetic acid
CID 61329614
N,2-dimethyl-3-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide
CID 47029177
4-(4-hydroxypentanoylamino)-N,3-dimethylbenzamide
CID 79204777
2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide
CID 82016802
3-(2-aminohexanoylamino)-N,2-dimethylbenzamide
CID 60854743
N-(2,3-difluorophenyl)-4-hydroxypentanamide
CID 79193547

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide?
The IUPAC name of 3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide (CID 79204866) is 3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide.
What is the SMILES notation for 3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide?
The canonical SMILES for 3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide is CNC(=O)c1cccc(NC(=O)CCC(C)O)c1C.
What is the InChIKey of 3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide?
The InChIKey is FZPAWGNAJIYFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(17)7-8-13(18)16-12-6-4-5-11(10(12)2)14(19)15-3/h4-6,9,17H,7-8H2,1-3H3,(H,15,19)(H,16,18).
What are the key properties of 3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide?
3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide has a molecular weight of 264.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide is sourced from PubChem (CID 79204866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).