2-amino-N-(2-ethyl-2-hydroxybutyl)-4,5-dimethoxybenzamide

C15H24N2O4 — CID 65104180

IUPAC2-amino-N-(2-ethyl-2-hydroxybutyl)-4,5-dimethoxybenzamide
SMILESCCC(O)(CC)CNC(=O)c1cc(OC)c(OC)cc1N
InChIInChI=1S/C15H24N2O4/c1-5-15(19,6-2)9-17-14(18)10-7-12(20-3)13(21-4)8-11(10)16/h7-8,19H,5-6,9,16H2,1-4H3,(H,17,18)
InChIKeyRGZAICFJRSWEJZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.57
Rot. Bonds7

About 2-amino-N-(2-ethyl-2-hydroxybutyl)-4,5-dimethoxybenzamide

2-amino-N-(2-ethyl-2-hydroxybutyl)-4,5-dimethoxybenzamide (PubChem CID 65104180) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-amino-N-(2-ethyl-2-hydroxybutyl)-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(2-ethyl-2-hydroxybutyl)-4,5-dimethoxybenzamide
PubChem CID65104180
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-amino-N-(2-ethyl-2-hydroxybutyl)-4,5-dimethoxybenzamide
SMILESCCC(O)(CC)CNC(=O)c1cc(OC)c(OC)cc1N
InChIInChI=1S/C15H24N2O4/c1-5-15(19,6-2)9-17-14(18)10-7-12(20-3)13(21-4)8-11(10)16/h7-8,19H,5-6,9,16H2,1-4H3,(H,17,18)
InChIKeyRGZAICFJRSWEJZ-UHFFFAOYSA-N
XLogP1.57
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4,5-dimethoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 104758258
2-amino-N-(2-ethyl-2-hydroxybutyl)-4-fluorobenzamide
CID 65108644
2-amino-4,5-dimethoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43310299
2-amino-N-hydroxy-4,5-dimethoxybenzamide
CID 11535831
1-(2-amino-4,5-dimethoxyphenyl)propan-1-one
CID 7148511
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4,5-dimethoxybenzamide
CID 106233325
2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide
CID 65103770
2-amino-N,N-diethyl-4,5-dimethoxybenzamide
CID 16776188
2-amino-N-(2-hydroxy-2-methylpentyl)-5-methoxybenzamide
CID 106289273
N-(2-amino-2-methylpropyl)-2-iodo-4,5-dimethoxybenzamide;hydrochloride
CID 119629327
3,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide
CID 65112037
3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide
CID 56807264

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethyl-2-hydroxybutyl)-4,5-dimethoxybenzamide?
The IUPAC name of 2-amino-N-(2-ethyl-2-hydroxybutyl)-4,5-dimethoxybenzamide (CID 65104180) is 2-amino-N-(2-ethyl-2-hydroxybutyl)-4,5-dimethoxybenzamide.
What is the SMILES notation for 2-amino-N-(2-ethyl-2-hydroxybutyl)-4,5-dimethoxybenzamide?
The canonical SMILES for 2-amino-N-(2-ethyl-2-hydroxybutyl)-4,5-dimethoxybenzamide is CCC(O)(CC)CNC(=O)c1cc(OC)c(OC)cc1N.
What is the InChIKey of 2-amino-N-(2-ethyl-2-hydroxybutyl)-4,5-dimethoxybenzamide?
The InChIKey is RGZAICFJRSWEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-5-15(19,6-2)9-17-14(18)10-7-12(20-3)13(21-4)8-11(10)16/h7-8,19H,5-6,9,16H2,1-4H3,(H,17,18).
What are the key properties of 2-amino-N-(2-ethyl-2-hydroxybutyl)-4,5-dimethoxybenzamide?
2-amino-N-(2-ethyl-2-hydroxybutyl)-4,5-dimethoxybenzamide has a molecular weight of 296.37 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethyl-2-hydroxybutyl)-4,5-dimethoxybenzamide is sourced from PubChem (CID 65104180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).