3-amino-4-(2-methylprop-2-enoxy)-N-propylbenzamide

C14H20N2O2 — CID 82070436

IUPAC3-amino-4-(2-methylprop-2-enoxy)-N-propylbenzamide
SMILESC=C(C)COc1ccc(C(=O)NCCC)cc1N
InChIInChI=1S/C14H20N2O2/c1-4-7-16-14(17)11-5-6-13(12(15)8-11)18-9-10(2)3/h5-6,8H,2,4,7,9,15H2,1,3H3,(H,16,17)
InChIKeyNOJWIVYFEGLARP-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.36
Rot. Bonds6

About 3-amino-4-(2-methylprop-2-enoxy)-N-propylbenzamide

3-amino-4-(2-methylprop-2-enoxy)-N-propylbenzamide (PubChem CID 82070436) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-4-(2-methylprop-2-enoxy)-N-propylbenzamide.

Molecular Properties

Compound Name3-amino-4-(2-methylprop-2-enoxy)-N-propylbenzamide
PubChem CID82070436
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-amino-4-(2-methylprop-2-enoxy)-N-propylbenzamide
SMILESC=C(C)COc1ccc(C(=O)NCCC)cc1N
InChIInChI=1S/C14H20N2O2/c1-4-7-16-14(17)11-5-6-13(12(15)8-11)18-9-10(2)3/h5-6,8H,2,4,7,9,15H2,1,3H3,(H,16,17)
InChIKeyNOJWIVYFEGLARP-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
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-N-[4-(dimethylamino)butyl]-4-(2-methylprop-2-enoxy)benzamide
CID 82070460
3-amino-N-(2-methoxyethyl)-4-[2-oxo-2-(propylamino)ethoxy]benzamide
CID 93216837
N-(2-acetamidoethyl)-4-amino-3-(2-methylprop-2-enoxy)benzamide
CID 82070052
3-amino-4-(2-methylprop-2-enoxy)benzoic acid
CID 82057319
2-(4-acetyl-2-aminophenoxy)-N-propylacetamide
CID 82064189
4-amino-N-[2-(dimethylamino)ethyl]-3-(2-methylprop-2-enoxy)benzamide
CID 82070067
4-amino-N-[3-(dimethylamino)propyl]-3-(2-methylprop-2-enoxy)benzamide
CID 82070061
3-(2-methylprop-2-enoxy)-N-propylbenzamide
CID 17133083
3-amino-4-ethoxy-N-(2-hydroxyethyl)benzamide
CID 61093968
3-amino-4-ethoxy-N-hexylbenzamide
CID 61112297
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
4-amino-3-propoxy-N-propylbenzamide
CID 82069804

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-methylprop-2-enoxy)-N-propylbenzamide?
The IUPAC name of 3-amino-4-(2-methylprop-2-enoxy)-N-propylbenzamide (CID 82070436) is 3-amino-4-(2-methylprop-2-enoxy)-N-propylbenzamide.
What is the SMILES notation for 3-amino-4-(2-methylprop-2-enoxy)-N-propylbenzamide?
The canonical SMILES for 3-amino-4-(2-methylprop-2-enoxy)-N-propylbenzamide is C=C(C)COc1ccc(C(=O)NCCC)cc1N.
What is the InChIKey of 3-amino-4-(2-methylprop-2-enoxy)-N-propylbenzamide?
The InChIKey is NOJWIVYFEGLARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-7-16-14(17)11-5-6-13(12(15)8-11)18-9-10(2)3/h5-6,8H,2,4,7,9,15H2,1,3H3,(H,16,17).
What are the key properties of 3-amino-4-(2-methylprop-2-enoxy)-N-propylbenzamide?
3-amino-4-(2-methylprop-2-enoxy)-N-propylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-methylprop-2-enoxy)-N-propylbenzamide is sourced from PubChem (CID 82070436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).