N-(2-amino-2-oxoethyl)-5-(4-hydroxybut-1-ynyl)-2-methylbenzamide

C14H16N2O3 — CID 65310935

IUPACN-(2-amino-2-oxoethyl)-5-(4-hydroxybut-1-ynyl)-2-methylbenzamide
SMILESCc1ccc(C#CCCO)cc1C(=O)NCC(N)=O
InChIInChI=1S/C14H16N2O3/c1-10-5-6-11(4-2-3-7-17)8-12(10)14(19)16-9-13(15)18/h5-6,8,17H,3,7,9H2,1H3,(H2,15,18)(H,16,19)
InChIKeyOOQBWSYGTYOGJR-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.06
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-5-(4-hydroxybut-1-ynyl)-2-methylbenzamide

N-(2-amino-2-oxoethyl)-5-(4-hydroxybut-1-ynyl)-2-methylbenzamide (PubChem CID 65310935) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-(4-hydroxybut-1-ynyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-(4-hydroxybut-1-ynyl)-2-methylbenzamide
PubChem CID65310935
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(2-amino-2-oxoethyl)-5-(4-hydroxybut-1-ynyl)-2-methylbenzamide
SMILESCc1ccc(C#CCCO)cc1C(=O)NCC(N)=O
InChIInChI=1S/C14H16N2O3/c1-10-5-6-11(4-2-3-7-17)8-12(10)14(19)16-9-13(15)18/h5-6,8,17H,3,7,9H2,1H3,(H2,15,18)(H,16,19)
InChIKeyOOQBWSYGTYOGJR-UHFFFAOYSA-N
XLogP-0.06
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-5-(4-hydroxybut-1-ynyl)-2-methylbenzamide
CID 65311282
5-(4-hydroxybut-1-ynyl)-2-methyl-N-(2-sulfamoylethyl)benzamide
CID 65311185
5-(4-hydroxybut-1-ynyl)-N-(2-methoxypropyl)-2-methylbenzamide
CID 102700198
N-(2-amino-2-oxoethyl)-3-(4-hydroxybut-1-ynyl)-4-methylbenzamide
CID 81476925
5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)-N,2-dimethylbenzamide
CID 65311429
5-(3-hydroxyprop-1-ynyl)-2-methyl-N-propylbenzamide
CID 65310982
N-(3-amino-3-oxopropyl)-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
CID 60821595
5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide
CID 65310729
5-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 65311317
N-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 60816589
5-(4-hydroxybut-1-ynyl)-N,2-dimethyl-N-(3-methylbutan-2-yl)benzamide
CID 65311375
2-fluoro-4-(4-hydroxybut-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 60821325

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-(4-hydroxybut-1-ynyl)-2-methylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-(4-hydroxybut-1-ynyl)-2-methylbenzamide (CID 65310935) is N-(2-amino-2-oxoethyl)-5-(4-hydroxybut-1-ynyl)-2-methylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-(4-hydroxybut-1-ynyl)-2-methylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-(4-hydroxybut-1-ynyl)-2-methylbenzamide is Cc1ccc(C#CCCO)cc1C(=O)NCC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-(4-hydroxybut-1-ynyl)-2-methylbenzamide?
The InChIKey is OOQBWSYGTYOGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-5-6-11(4-2-3-7-17)8-12(10)14(19)16-9-13(15)18/h5-6,8,17H,3,7,9H2,1H3,(H2,15,18)(H,16,19).
What are the key properties of N-(2-amino-2-oxoethyl)-5-(4-hydroxybut-1-ynyl)-2-methylbenzamide?
N-(2-amino-2-oxoethyl)-5-(4-hydroxybut-1-ynyl)-2-methylbenzamide has a molecular weight of 260.29 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-(4-hydroxybut-1-ynyl)-2-methylbenzamide is sourced from PubChem (CID 65310935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).