2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide

C15H22N2O3 — CID 114464773

IUPAC2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
SMILESC=C(C)COCCNC(=O)c1c(N)cccc1OCC
InChIInChI=1S/C15H22N2O3/c1-4-20-13-7-5-6-12(16)14(13)15(18)17-8-9-19-10-11(2)3/h5-7H,2,4,8-10,16H2,1,3H3,(H,17,18)
InChIKeyQVIXDPUGIMNUBI-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.99
Rot. Bonds8

About 2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide

2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide (PubChem CID 114464773) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
PubChem CID114464773
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
SMILESC=C(C)COCCNC(=O)c1c(N)cccc1OCC
InChIInChI=1S/C15H22N2O3/c1-4-20-13-7-5-6-12(16)14(13)15(18)17-8-9-19-10-11(2)3/h5-7H,2,4,8-10,16H2,1,3H3,(H,17,18)
InChIKeyQVIXDPUGIMNUBI-UHFFFAOYSA-N
XLogP1.99
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide
CID 106233209
2-amino-6-ethoxy-N-(4-propan-2-yloxybutyl)benzamide
CID 106006138
2-amino-6-ethoxy-N-(2-methylbutyl)benzamide
CID 81420937
2-amino-6-ethoxy-N-(3-methoxy-2-methylpropyl)benzamide
CID 81420520
2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide
CID 81420510
methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate
CID 81410265
2-amino-6-ethoxy-N-hex-5-ynylbenzamide
CID 106208141
2-amino-6-ethoxy-N-[3-(methanesulfonamido)propyl]benzamide
CID 106332674
2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide
CID 81420128
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265
2-amino-6-ethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 81420466
2-amino-N-cyclooctyl-6-ethoxybenzamide
CID 81396294

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The IUPAC name of 2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide (CID 114464773) is 2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide.
What is the SMILES notation for 2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The canonical SMILES for 2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide is C=C(C)COCCNC(=O)c1c(N)cccc1OCC.
What is the InChIKey of 2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The InChIKey is QVIXDPUGIMNUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-20-13-7-5-6-12(16)14(13)15(18)17-8-9-19-10-11(2)3/h5-7H,2,4,8-10,16H2,1,3H3,(H,17,18).
What are the key properties of 2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide has a molecular weight of 278.35 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide is sourced from PubChem (CID 114464773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).