2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4,5-dimethoxybenzamide

C14H22N2O4 — CID 79247786

IUPAC2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4,5-dimethoxybenzamide
SMILESCOc1cc(N)c(C(=O)NC(CO)C(C)C)cc1OC
InChIInChI=1S/C14H22N2O4/c1-8(2)11(7-17)16-14(18)9-5-12(19-3)13(20-4)6-10(9)15/h5-6,8,11,17H,7,15H2,1-4H3,(H,16,18)
InChIKeyAGKCCAHLYMSXRZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.03
Rot. Bonds6

About 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4,5-dimethoxybenzamide

2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4,5-dimethoxybenzamide (PubChem CID 79247786) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4,5-dimethoxybenzamide
PubChem CID79247786
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4,5-dimethoxybenzamide
SMILESCOc1cc(N)c(C(=O)NC(CO)C(C)C)cc1OC
InChIInChI=1S/C14H22N2O4/c1-8(2)11(7-17)16-14(18)9-5-12(19-3)13(20-4)6-10(9)15/h5-6,8,11,17H,7,15H2,1-4H3,(H,16,18)
InChIKeyAGKCCAHLYMSXRZ-UHFFFAOYSA-N
XLogP1.03
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.03
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

5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-iodo-2-methoxybenzamide
CID 79253137
2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybenzamide
CID 75498984
2-amino-N-hexan-3-yl-4,5-dimethoxybenzamide
CID 62094732
2-amino-N-hydroxy-4,5-dimethoxybenzamide
CID 11535831
2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methoxybenzamide
CID 106349785
5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)-1H-pyrazole-4-carboxamide
CID 91639554
5-(3,4-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide
CID 100906875
N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxy-4-nitrobenzamide
CID 104783705
2-amino-3,5-dimethoxy-N-(2-methylpentan-3-yl)benzamide
CID 115950603
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 3475258
N-[(2S)-1-aminopropan-2-yl]-2,4,5-trimethoxybenzamide
CID 98541747
3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxybenzamide
CID 79252019

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4,5-dimethoxybenzamide?
The IUPAC name of 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4,5-dimethoxybenzamide (CID 79247786) is 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4,5-dimethoxybenzamide.
What is the SMILES notation for 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4,5-dimethoxybenzamide?
The canonical SMILES for 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4,5-dimethoxybenzamide is COc1cc(N)c(C(=O)NC(CO)C(C)C)cc1OC.
What is the InChIKey of 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4,5-dimethoxybenzamide?
The InChIKey is AGKCCAHLYMSXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-8(2)11(7-17)16-14(18)9-5-12(19-3)13(20-4)6-10(9)15/h5-6,8,11,17H,7,15H2,1-4H3,(H,16,18).
What are the key properties of 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4,5-dimethoxybenzamide?
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4,5-dimethoxybenzamide has a molecular weight of 282.34 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4,5-dimethoxybenzamide is sourced from PubChem (CID 79247786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).