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

C14H20N2O3 — CID 79204777

IUPAC4-(4-hydroxypentanoylamino)-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CCC(C)O)c(C)c1
InChIInChI=1S/C14H20N2O3/c1-9-8-11(14(19)15-3)5-6-12(9)16-13(18)7-4-10(2)17/h5-6,8,10,17H,4,7H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyUXBNEKCWPHVMPL-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.45
Rot. Bonds5

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

4-(4-hydroxypentanoylamino)-N,3-dimethylbenzamide (PubChem CID 79204777) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-(4-hydroxypentanoylamino)-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-(4-hydroxypentanoylamino)-N,3-dimethylbenzamide
PubChem CID79204777
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-(4-hydroxypentanoylamino)-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CCC(C)O)c(C)c1
InChIInChI=1S/C14H20N2O3/c1-9-8-11(14(19)15-3)5-6-12(9)16-13(18)7-4-10(2)17/h5-6,8,10,17H,4,7H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyUXBNEKCWPHVMPL-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

4-(butanoylamino)-N,3-dimethylbenzamide
CID 61216786
4-[2-methyl-4-(methylcarbamoyl)anilino]-4-oxobutanoic acid
CID 54868212
4-[3-(cyclopropylamino)propanoylamino]-N,3-dimethylbenzamide
CID 60868168
4-hydroxy-N-(2-methylphenyl)pentanamide
CID 79017195
4-(2-methoxypropanoylamino)-N,3-dimethylbenzamide
CID 47307868
N-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide
CID 79205094
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide
CID 60868336
3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide
CID 79204866
4-(4-aminobutanoylamino)-3-methyl-N-propan-2-ylbenzamide
CID 119300432
4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide
CID 61215739
3-[(5-amino-4-methylpentanoyl)amino]-4-chloro-N-methylbenzamide
CID 82012587
4-[[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-N,3-dimethylbenzamide
CID 95296510

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypentanoylamino)-N,3-dimethylbenzamide?
The IUPAC name of 4-(4-hydroxypentanoylamino)-N,3-dimethylbenzamide (CID 79204777) is 4-(4-hydroxypentanoylamino)-N,3-dimethylbenzamide.
What is the SMILES notation for 4-(4-hydroxypentanoylamino)-N,3-dimethylbenzamide?
The canonical SMILES for 4-(4-hydroxypentanoylamino)-N,3-dimethylbenzamide is CNC(=O)c1ccc(NC(=O)CCC(C)O)c(C)c1.
What is the InChIKey of 4-(4-hydroxypentanoylamino)-N,3-dimethylbenzamide?
The InChIKey is UXBNEKCWPHVMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-8-11(14(19)15-3)5-6-12(9)16-13(18)7-4-10(2)17/h5-6,8,10,17H,4,7H2,1-3H3,(H,15,19)(H,16,18).
What are the key properties of 4-(4-hydroxypentanoylamino)-N,3-dimethylbenzamide?
4-(4-hydroxypentanoylamino)-N,3-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 4-(4-hydroxypentanoylamino)-N,3-dimethylbenzamide is sourced from PubChem (CID 79204777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).