N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide

C14H20N2O4 — CID 60779447

IUPACN-(2-amino-2-oxoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide
SMILESCCCCN(CC(N)=O)C(=O)c1cc(OC)ccc1O
InChIInChI=1S/C14H20N2O4/c1-3-4-7-16(9-13(15)18)14(19)11-8-10(20-2)5-6-12(11)17/h5-6,8,17H,3-4,7,9H2,1-2H3,(H2,15,18)
InChIKeyKDXOOJSVXRXGID-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.13
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide

N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide (PubChem CID 60779447) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide
PubChem CID60779447
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-(2-amino-2-oxoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide
SMILESCCCCN(CC(N)=O)C(=O)c1cc(OC)ccc1O
InChIInChI=1S/C14H20N2O4/c1-3-4-7-16(9-13(15)18)14(19)11-8-10(20-2)5-6-12(11)17/h5-6,8,17H,3-4,7,9H2,1-2H3,(H2,15,18)
InChIKeyKDXOOJSVXRXGID-UHFFFAOYSA-N
XLogP1.13
TPSA92.86 Ų
H-Bond Donors2
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 ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide
CID 80662499
N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide
CID 54942284
N-(2-amino-2-oxoethyl)-N-butyl-2,3-dihydroxybenzamide
CID 114344176
2-[2-(dimethylamino)ethyl-(2-hydroxy-5-methoxybenzoyl)amino]acetic acid
CID 107424156
N-benzoyl-N-butyl-2-hydroxy-5-methoxybenzamide
CID 11771780
N-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide
CID 103102621
N-ethyl-2-hydroxy-5-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 54949018
N-(2-aminoethyl)-N-butyl-2-fluoro-4-methoxybenzamide
CID 102885358
N-(3-aminopropyl)-2-hydroxy-4-methoxy-N-propylbenzamide
CID 43319215
N-ethyl-2-hydroxy-5-methoxy-N-(2-methylbutyl)benzamide
CID 79470067
N-ethyl-2-hydroxy-5-methoxy-N-prop-2-ynylbenzamide
CID 78971160
N-(2-amino-2-oxoethyl)-2,5-dibromo-N-butylbenzamide
CID 114371555

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide (CID 60779447) is N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide is CCCCN(CC(N)=O)C(=O)c1cc(OC)ccc1O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide?
The InChIKey is KDXOOJSVXRXGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-4-7-16(9-13(15)18)14(19)11-8-10(20-2)5-6-12(11)17/h5-6,8,17H,3-4,7,9H2,1-2H3,(H2,15,18).
What are the key properties of N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide?
N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide has a molecular weight of 280.32 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 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-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 60779447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).