N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide

C13H18N2O3 — CID 54942284

IUPACN-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide
SMILESCCCCN(CC(N)=O)C(=O)c1ccccc1O
InChIInChI=1S/C13H18N2O3/c1-2-3-8-15(9-12(14)17)13(18)10-6-4-5-7-11(10)16/h4-7,16H,2-3,8-9H2,1H3,(H2,14,17)
InChIKeyVQCLYBNDESSDSR-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.12
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide

N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide (PubChem CID 54942284) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide
PubChem CID54942284
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide
SMILESCCCCN(CC(N)=O)C(=O)c1ccccc1O
InChIInChI=1S/C13H18N2O3/c1-2-3-8-15(9-12(14)17)13(18)10-6-4-5-7-11(10)16/h4-7,16H,2-3,8-9H2,1H3,(H2,14,17)
InChIKeyVQCLYBNDESSDSR-UHFFFAOYSA-N
XLogP1.12
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 114344176
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N-(2-amino-2-oxoethyl)-2,5-dibromo-N-butylbenzamide
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2-amino-N-(2-amino-2-oxoethyl)-N-butyl-6-chlorobenzamide
CID 63658073
N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide
CID 61348969
4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride
CID 119733438
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)-N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
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CID 145020440

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide (CID 54942284) is N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide is CCCCN(CC(N)=O)C(=O)c1ccccc1O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide?
The InChIKey is VQCLYBNDESSDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-3-8-15(9-12(14)17)13(18)10-6-4-5-7-11(10)16/h4-7,16H,2-3,8-9H2,1H3,(H2,14,17).
What are the key properties of N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide?
N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide has a molecular weight of 250.30 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide is sourced from PubChem (CID 54942284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).