2-amino-6-methyl-N-(2-prop-2-enoxyethyl)benzamide

C13H18N2O2 — CID 114264552

IUPAC2-amino-6-methyl-N-(2-prop-2-enoxyethyl)benzamide
SMILESC=CCOCCNC(=O)c1c(C)cccc1N
InChIInChI=1S/C13H18N2O2/c1-3-8-17-9-7-15-13(16)12-10(2)5-4-6-11(12)14/h3-6H,1,7-9,14H2,2H3,(H,15,16)
InChIKeyRIPJRFQXJSMXHA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.51
Rot. Bonds6

About 2-amino-6-methyl-N-(2-prop-2-enoxyethyl)benzamide

2-amino-6-methyl-N-(2-prop-2-enoxyethyl)benzamide (PubChem CID 114264552) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-amino-6-methyl-N-(2-prop-2-enoxyethyl)benzamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-(2-prop-2-enoxyethyl)benzamide
PubChem CID114264552
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-amino-6-methyl-N-(2-prop-2-enoxyethyl)benzamide
SMILESC=CCOCCNC(=O)c1c(C)cccc1N
InChIInChI=1S/C13H18N2O2/c1-3-8-17-9-7-15-13(16)12-10(2)5-4-6-11(12)14/h3-6H,1,7-9,14H2,2H3,(H,15,16)
InChIKeyRIPJRFQXJSMXHA-UHFFFAOYSA-N
XLogP1.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-methoxypropyl)-6-methylbenzamide
CID 43153249
2-amino-6-methyl-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106425056
2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzamide
CID 63825291
2-amino-6-methyl-N-(3-methylsulfanylpropyl)benzamide
CID 63980673
2-amino-6-methyl-N-(4-methylpentyl)benzamide
CID 61125190
2-amino-N-[3-(dimethylamino)-3-oxopropyl]-6-methylbenzamide
CID 61102735
2-amino-6-chloro-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 63660232
2-amino-6-methylbenzohydrazide;ethane
CID 145125009
2-amino-6-methyl-N-(7-methyloctyl)benzamide
CID 107814563
2-amino-6-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 16782894
N-(2-but-3-enoxyethyl)-2,6-dihydroxybenzamide
CID 103890690
2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 114464773

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-(2-prop-2-enoxyethyl)benzamide?
The IUPAC name of 2-amino-6-methyl-N-(2-prop-2-enoxyethyl)benzamide (CID 114264552) is 2-amino-6-methyl-N-(2-prop-2-enoxyethyl)benzamide.
What is the SMILES notation for 2-amino-6-methyl-N-(2-prop-2-enoxyethyl)benzamide?
The canonical SMILES for 2-amino-6-methyl-N-(2-prop-2-enoxyethyl)benzamide is C=CCOCCNC(=O)c1c(C)cccc1N.
What is the InChIKey of 2-amino-6-methyl-N-(2-prop-2-enoxyethyl)benzamide?
The InChIKey is RIPJRFQXJSMXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-8-17-9-7-15-13(16)12-10(2)5-4-6-11(12)14/h3-6H,1,7-9,14H2,2H3,(H,15,16).
What are the key properties of 2-amino-6-methyl-N-(2-prop-2-enoxyethyl)benzamide?
2-amino-6-methyl-N-(2-prop-2-enoxyethyl)benzamide has a molecular weight of 234.30 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-(2-prop-2-enoxyethyl)benzamide is sourced from PubChem (CID 114264552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).