2-amino-N-(2-ethoxy-2-methylpropyl)-6-methylbenzamide

C14H22N2O2 — CID 114940283

IUPAC2-amino-N-(2-ethoxy-2-methylpropyl)-6-methylbenzamide
SMILESCCOC(C)(C)CNC(=O)c1c(C)cccc1N
InChIInChI=1S/C14H22N2O2/c1-5-18-14(3,4)9-16-13(17)12-10(2)7-6-8-11(12)15/h6-8H,5,9,15H2,1-4H3,(H,16,17)
InChIKeyAGPAEMQMUHLERJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.12
Rot. Bonds5

About 2-amino-N-(2-ethoxy-2-methylpropyl)-6-methylbenzamide

2-amino-N-(2-ethoxy-2-methylpropyl)-6-methylbenzamide (PubChem CID 114940283) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-(2-ethoxy-2-methylpropyl)-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2-ethoxy-2-methylpropyl)-6-methylbenzamide
PubChem CID114940283
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-(2-ethoxy-2-methylpropyl)-6-methylbenzamide
SMILESCCOC(C)(C)CNC(=O)c1c(C)cccc1N
InChIInChI=1S/C14H22N2O2/c1-5-18-14(3,4)9-16-13(17)12-10(2)7-6-8-11(12)15/h6-8H,5,9,15H2,1-4H3,(H,16,17)
InChIKeyAGPAEMQMUHLERJ-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.12
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-N-(2-ethoxy-2-methylpropyl)-3-methylbenzene-1,2-diamine
CID 114940564
4-amino-N-(2-ethoxy-2-methylpropyl)benzamide
CID 114940355
2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide
CID 81420510
2-amino-6-methylbenzohydrazide;ethane
CID 145125009
2-amino-N-(3-methoxypropyl)-6-methylbenzamide
CID 43153249
2-amino-N-[3-(dimethylamino)-3-oxopropyl]-6-methylbenzamide
CID 61102735
4-amino-3-chloro-N-(2-ethoxy-2-methylpropyl)benzamide
CID 114940306
2-amino-6-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 16782894
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylbenzamide
CID 107229451
2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide
CID 16782827
5-amino-N-(2-ethoxy-2-methylpropyl)-2,4-difluorobenzamide
CID 114940280
6-amino-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide
CID 114944068

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethoxy-2-methylpropyl)-6-methylbenzamide?
The IUPAC name of 2-amino-N-(2-ethoxy-2-methylpropyl)-6-methylbenzamide (CID 114940283) is 2-amino-N-(2-ethoxy-2-methylpropyl)-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-(2-ethoxy-2-methylpropyl)-6-methylbenzamide?
The canonical SMILES for 2-amino-N-(2-ethoxy-2-methylpropyl)-6-methylbenzamide is CCOC(C)(C)CNC(=O)c1c(C)cccc1N.
What is the InChIKey of 2-amino-N-(2-ethoxy-2-methylpropyl)-6-methylbenzamide?
The InChIKey is AGPAEMQMUHLERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-18-14(3,4)9-16-13(17)12-10(2)7-6-8-11(12)15/h6-8H,5,9,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-N-(2-ethoxy-2-methylpropyl)-6-methylbenzamide?
2-amino-N-(2-ethoxy-2-methylpropyl)-6-methylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethoxy-2-methylpropyl)-6-methylbenzamide is sourced from PubChem (CID 114940283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).