2-amino-6-ethoxy-N-propan-2-yl-N-prop-2-enylbenzamide

C15H22N2O2 — CID 81420096

IUPAC2-amino-6-ethoxy-N-propan-2-yl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1c(N)cccc1OCC)C(C)C
InChIInChI=1S/C15H22N2O2/c1-5-10-17(11(3)4)15(18)14-12(16)8-7-9-13(14)19-6-2/h5,7-9,11H,1,6,10,16H2,2-4H3
InChIKeyLQCBQCIXYJAJDF-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.70
Rot. Bonds6

About 2-amino-6-ethoxy-N-propan-2-yl-N-prop-2-enylbenzamide

2-amino-6-ethoxy-N-propan-2-yl-N-prop-2-enylbenzamide (PubChem CID 81420096) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-amino-6-ethoxy-N-propan-2-yl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-amino-6-ethoxy-N-propan-2-yl-N-prop-2-enylbenzamide
PubChem CID81420096
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-amino-6-ethoxy-N-propan-2-yl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1c(N)cccc1OCC)C(C)C
InChIInChI=1S/C15H22N2O2/c1-5-10-17(11(3)4)15(18)14-12(16)8-7-9-13(14)19-6-2/h5,7-9,11H,1,6,10,16H2,2-4H3
InChIKeyLQCBQCIXYJAJDF-UHFFFAOYSA-N
XLogP2.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-methyl-N-propan-2-yl-N-prop-2-enylbenzamide
CID 61108768
2-amino-6-ethoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112656484
3-methylbutan-2-yl 2-amino-6-ethoxybenzoate
CID 81414285
2-(2-amino-6-ethoxybenzoyl)oxypropanoic acid
CID 81413977
2-amino-6-ethoxy-N-(2-methylbutyl)benzamide
CID 81420937
4-methylpentan-2-yl 2-amino-6-ethoxybenzoate
CID 81414693
2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide
CID 81420128
2-amino-5-fluoro-N-propan-2-yl-N-prop-2-enylbenzamide
CID 54905690
2-amino-N-(2-cyanoethyl)-6-methoxy-N-propan-2-ylbenzamide
CID 81420709
[1-(ethylamino)-1-oxopropan-2-yl] 2-amino-6-ethoxybenzoate
CID 81414134
2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 81420087
2-propan-2-ylsulfonylethyl 2-amino-6-ethoxybenzoate
CID 106728861

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-N-propan-2-yl-N-prop-2-enylbenzamide?
The IUPAC name of 2-amino-6-ethoxy-N-propan-2-yl-N-prop-2-enylbenzamide (CID 81420096) is 2-amino-6-ethoxy-N-propan-2-yl-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-amino-6-ethoxy-N-propan-2-yl-N-prop-2-enylbenzamide?
The canonical SMILES for 2-amino-6-ethoxy-N-propan-2-yl-N-prop-2-enylbenzamide is C=CCN(C(=O)c1c(N)cccc1OCC)C(C)C.
What is the InChIKey of 2-amino-6-ethoxy-N-propan-2-yl-N-prop-2-enylbenzamide?
The InChIKey is LQCBQCIXYJAJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-10-17(11(3)4)15(18)14-12(16)8-7-9-13(14)19-6-2/h5,7-9,11H,1,6,10,16H2,2-4H3.
What are the key properties of 2-amino-6-ethoxy-N-propan-2-yl-N-prop-2-enylbenzamide?
2-amino-6-ethoxy-N-propan-2-yl-N-prop-2-enylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-N-propan-2-yl-N-prop-2-enylbenzamide is sourced from PubChem (CID 81420096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).