2-amino-6-methoxy-N-octan-4-ylbenzamide

C16H26N2O2 — CID 106021762

IUPAC2-amino-6-methoxy-N-octan-4-ylbenzamide
SMILESCCCCC(CCC)NC(=O)c1c(N)cccc1OC
InChIInChI=1S/C16H26N2O2/c1-4-6-9-12(8-5-2)18-16(19)15-13(17)10-7-11-14(15)20-3/h7,10-12H,4-6,8-9,17H2,1-3H3,(H,18,19)
InChIKeyIQAXQHMMFAJSNM-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.37
Rot. Bonds8

About 2-amino-6-methoxy-N-octan-4-ylbenzamide

2-amino-6-methoxy-N-octan-4-ylbenzamide (PubChem CID 106021762) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-amino-6-methoxy-N-octan-4-ylbenzamide.

Molecular Properties

Compound Name2-amino-6-methoxy-N-octan-4-ylbenzamide
PubChem CID106021762
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-amino-6-methoxy-N-octan-4-ylbenzamide
SMILESCCCCC(CCC)NC(=O)c1c(N)cccc1OC
InChIInChI=1S/C16H26N2O2/c1-4-6-9-12(8-5-2)18-16(19)15-13(17)10-7-11-14(15)20-3/h7,10-12H,4-6,8-9,17H2,1-3H3,(H,18,19)
InChIKeyIQAXQHMMFAJSNM-UHFFFAOYSA-N
XLogP3.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.37
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-6-methoxy-N-pentan-2-ylbenzamide
CID 81409671
2-amino-N-(5-hydroxypentan-2-yl)-6-methoxybenzamide
CID 81420758
4-amino-2-methoxy-N-octan-4-ylbenzamide
CID 106021761
2-amino-6-methoxy-N-(1-phenylpropyl)benzamide
CID 81394668
2-amino-6-ethoxy-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 107211215
2-amino-6-methoxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 81420995
2-amino-3-fluoro-N-octan-4-ylbenzamide
CID 106025768
2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methoxybenzamide
CID 81420567
2-amino-6-chloro-N-hexan-2-ylbenzamide
CID 63660411
2-amino-4-methyl-N-octan-4-ylbenzamide
CID 106027828
2-amino-N-(3-hydroxybutyl)-6-methoxybenzamide
CID 81420949
2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
CID 81421037

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-N-octan-4-ylbenzamide?
The IUPAC name of 2-amino-6-methoxy-N-octan-4-ylbenzamide (CID 106021762) is 2-amino-6-methoxy-N-octan-4-ylbenzamide.
What is the SMILES notation for 2-amino-6-methoxy-N-octan-4-ylbenzamide?
The canonical SMILES for 2-amino-6-methoxy-N-octan-4-ylbenzamide is CCCCC(CCC)NC(=O)c1c(N)cccc1OC.
What is the InChIKey of 2-amino-6-methoxy-N-octan-4-ylbenzamide?
The InChIKey is IQAXQHMMFAJSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-6-9-12(8-5-2)18-16(19)15-13(17)10-7-11-14(15)20-3/h7,10-12H,4-6,8-9,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-6-methoxy-N-octan-4-ylbenzamide?
2-amino-6-methoxy-N-octan-4-ylbenzamide has a molecular weight of 278.40 g/mol, XLogP of 3.37, 8 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-octan-4-ylbenzamide is sourced from PubChem (CID 106021762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).