2-amino-6-methoxy-N-pentan-2-ylbenzamide

C13H20N2O2 — CID 81409671

IUPAC2-amino-6-methoxy-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1c(N)cccc1OC
InChIInChI=1S/C13H20N2O2/c1-4-6-9(2)15-13(16)12-10(14)7-5-8-11(12)17-3/h5,7-9H,4,6,14H2,1-3H3,(H,15,16)
InChIKeyZOJYURNSZKYVTK-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.20
Rot. Bonds5

About 2-amino-6-methoxy-N-pentan-2-ylbenzamide

2-amino-6-methoxy-N-pentan-2-ylbenzamide (PubChem CID 81409671) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-6-methoxy-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name2-amino-6-methoxy-N-pentan-2-ylbenzamide
PubChem CID81409671
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-6-methoxy-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1c(N)cccc1OC
InChIInChI=1S/C13H20N2O2/c1-4-6-9(2)15-13(16)12-10(14)7-5-8-11(12)17-3/h5,7-9H,4,6,14H2,1-3H3,(H,15,16)
InChIKeyZOJYURNSZKYVTK-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide
CID 81420758
2-amino-6-methoxy-N-octan-4-ylbenzamide
CID 106021762
2-amino-6-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 81420795
2-amino-6-methoxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 81420995
2-amino-6-methoxy-N-(1-phenylpropyl)benzamide
CID 81394668
2-amino-N-(3-hydroxybutyl)-6-methoxybenzamide
CID 81420949
2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methoxybenzamide
CID 81420567
N-(4-bromobutan-2-yl)-2,6-dimethoxybenzamide
CID 83179704
2,6-dihydroxy-N-pentan-2-ylbenzamide
CID 103890167
2-amino-6-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 81394137
2-amino-6-chloro-N-hexan-2-ylbenzamide
CID 63660411
N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide
CID 65434046

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-N-pentan-2-ylbenzamide?
The IUPAC name of 2-amino-6-methoxy-N-pentan-2-ylbenzamide (CID 81409671) is 2-amino-6-methoxy-N-pentan-2-ylbenzamide.
What is the SMILES notation for 2-amino-6-methoxy-N-pentan-2-ylbenzamide?
The canonical SMILES for 2-amino-6-methoxy-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1c(N)cccc1OC.
What is the InChIKey of 2-amino-6-methoxy-N-pentan-2-ylbenzamide?
The InChIKey is ZOJYURNSZKYVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-6-9(2)15-13(16)12-10(14)7-5-8-11(12)17-3/h5,7-9H,4,6,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-6-methoxy-N-pentan-2-ylbenzamide?
2-amino-6-methoxy-N-pentan-2-ylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methoxy-N-pentan-2-ylbenzamide is sourced from PubChem (CID 81409671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).