3,5-dihydroxy-N-[2-(pentanoylamino)ethyl]benzamide

C14H20N2O4 — CID 108542562

IUPAC3,5-dihydroxy-N-[2-(pentanoylamino)ethyl]benzamide
SMILESCCCCC(=O)NCCNC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H20N2O4/c1-2-3-4-13(19)15-5-6-16-14(20)10-7-11(17)9-12(18)8-10/h7-9,17-18H,2-6H2,1H3,(H,15,19)(H,16,20)
InChIKeyMBRAAUSCLZGUJJ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.13
Rot. Bonds7

About 3,5-dihydroxy-N-[2-(pentanoylamino)ethyl]benzamide

3,5-dihydroxy-N-[2-(pentanoylamino)ethyl]benzamide (PubChem CID 108542562) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3,5-dihydroxy-N-[2-(pentanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-[2-(pentanoylamino)ethyl]benzamide
PubChem CID108542562
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3,5-dihydroxy-N-[2-(pentanoylamino)ethyl]benzamide
SMILESCCCCC(=O)NCCNC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H20N2O4/c1-2-3-4-13(19)15-5-6-16-14(20)10-7-11(17)9-12(18)8-10/h7-9,17-18H,2-6H2,1H3,(H,15,19)(H,16,20)
InChIKeyMBRAAUSCLZGUJJ-UHFFFAOYSA-N
XLogP1.13
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3,5-dihydroxybenzamide
CID 91715801
5-hydroxy-1-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 15027317
3,5-dihydroxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108542531
N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540173
N-[2-(dimethylcarbamoylamino)ethyl]-3,5-dihydroxybenzamide
CID 108575005
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
N-[2-(propanoylamino)ethyl]pentanamide
CID 108542545
N-(3-chloropropyl)-3,5-dihydroxybenzamide
CID 107705954
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108542011
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide
CID 108571368
N-butyl-3-hydroxy-5-nitrobenzamide
CID 125116137

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-[2-(pentanoylamino)ethyl]benzamide?
The IUPAC name of 3,5-dihydroxy-N-[2-(pentanoylamino)ethyl]benzamide (CID 108542562) is 3,5-dihydroxy-N-[2-(pentanoylamino)ethyl]benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-[2-(pentanoylamino)ethyl]benzamide?
The canonical SMILES for 3,5-dihydroxy-N-[2-(pentanoylamino)ethyl]benzamide is CCCCC(=O)NCCNC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of 3,5-dihydroxy-N-[2-(pentanoylamino)ethyl]benzamide?
The InChIKey is MBRAAUSCLZGUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-2-3-4-13(19)15-5-6-16-14(20)10-7-11(17)9-12(18)8-10/h7-9,17-18H,2-6H2,1H3,(H,15,19)(H,16,20).
What are the key properties of 3,5-dihydroxy-N-[2-(pentanoylamino)ethyl]benzamide?
3,5-dihydroxy-N-[2-(pentanoylamino)ethyl]benzamide has a molecular weight of 280.32 g/mol, XLogP of 1.13, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-[2-(pentanoylamino)ethyl]benzamide is sourced from PubChem (CID 108542562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).