N-(2-amino-2-oxoethyl)-N-butyl-2,3-dihydroxybenzamide

C13H18N2O4 — CID 114344176

IUPACN-(2-amino-2-oxoethyl)-N-butyl-2,3-dihydroxybenzamide
SMILESCCCCN(CC(N)=O)C(=O)c1cccc(O)c1O
InChIInChI=1S/C13H18N2O4/c1-2-3-7-15(8-11(14)17)13(19)9-5-4-6-10(16)12(9)18/h4-6,16,18H,2-3,7-8H2,1H3,(H2,14,17)
InChIKeyZOJFRYXIPSNRHD-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.83
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-butyl-2,3-dihydroxybenzamide

N-(2-amino-2-oxoethyl)-N-butyl-2,3-dihydroxybenzamide (PubChem CID 114344176) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-butyl-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-butyl-2,3-dihydroxybenzamide
PubChem CID114344176
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-(2-amino-2-oxoethyl)-N-butyl-2,3-dihydroxybenzamide
SMILESCCCCN(CC(N)=O)C(=O)c1cccc(O)c1O
InChIInChI=1S/C13H18N2O4/c1-2-3-7-15(8-11(14)17)13(19)9-5-4-6-10(16)12(9)18/h4-6,16,18H,2-3,7-8H2,1H3,(H2,14,17)
InChIKeyZOJFRYXIPSNRHD-UHFFFAOYSA-N
XLogP0.83
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide
CID 54942284
N-butyl-2,3-dihydroxy-N-(2-iodoprop-2-enyl)benzamide
CID 145020440
N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide
CID 60779447
N,N-diethyl-2,3-dihydroxybenzamide
CID 15178612
N-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide
CID 102993947
3-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide
CID 54906297
N-(2-amino-2-oxoethyl)-3-bromo-N-butylbenzamide
CID 60766751
N-(2-amino-2-oxoethyl)-2,5-dibromo-N-butylbenzamide
CID 114371555
N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide
CID 60958664
2-amino-N-(2-amino-2-oxoethyl)-N-butyl-6-chlorobenzamide
CID 63658073
4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride
CID 119733438
2-hydroxy-N,N-dioctadecylbenzamide
CID 58731350

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-2,3-dihydroxybenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-2,3-dihydroxybenzamide (CID 114344176) is N-(2-amino-2-oxoethyl)-N-butyl-2,3-dihydroxybenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-butyl-2,3-dihydroxybenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-butyl-2,3-dihydroxybenzamide is CCCCN(CC(N)=O)C(=O)c1cccc(O)c1O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-butyl-2,3-dihydroxybenzamide?
The InChIKey is ZOJFRYXIPSNRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-2-3-7-15(8-11(14)17)13(19)9-5-4-6-10(16)12(9)18/h4-6,16,18H,2-3,7-8H2,1H3,(H2,14,17).
What are the key properties of N-(2-amino-2-oxoethyl)-N-butyl-2,3-dihydroxybenzamide?
N-(2-amino-2-oxoethyl)-N-butyl-2,3-dihydroxybenzamide has a molecular weight of 266.30 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-butyl-2,3-dihydroxybenzamide is sourced from PubChem (CID 114344176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).