4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]benzamide

C14H20N2O2 — CID 113258300

IUPAC4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]benzamide
SMILESC=C(C)COCCNCc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H20N2O2/c1-11(2)10-18-8-7-16-9-12-3-5-13(6-4-12)14(15)17/h3-6,16H,1,7-10H2,2H3,(H2,15,17)
InChIKeyAZIKCZBLCVBFMS-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.47
Rot. Bonds8

About 4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]benzamide

4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]benzamide (PubChem CID 113258300) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]benzamide
PubChem CID113258300
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]benzamide
SMILESC=C(C)COCCNCc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H20N2O2/c1-11(2)10-18-8-7-16-9-12-3-5-13(6-4-12)14(15)17/h3-6,16H,1,7-10H2,2H3,(H2,15,17)
InChIKeyAZIKCZBLCVBFMS-UHFFFAOYSA-N
XLogP1.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-prop-2-enoxyethylamino)methyl]benzamide
CID 113362799
N-[(4-iodophenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 114467379
4-(acetamidomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699892
4-[[2-(diethylamino)ethylamino]methyl]benzamide
CID 28580136
4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide
CID 43420714
4-[(pent-3-ynylamino)methyl]benzamide
CID 116642949
4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide
CID 103720708
N-[2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]thiophen-3-yl]acetamide
CID 114465669
4-[(2-methylbutylamino)methyl]benzamide
CID 62693490
N-[(4-bromo-3-nitrophenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 115699272
4-[(5-methylhexylamino)methyl]benzamide
CID 79002955
4-[(4-methylsulfanylbutylamino)methyl]benzamide
CID 113239088

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]benzamide?
The IUPAC name of 4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]benzamide (CID 113258300) is 4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]benzamide.
What is the SMILES notation for 4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]benzamide?
The canonical SMILES for 4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]benzamide is C=C(C)COCCNCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]benzamide?
The InChIKey is AZIKCZBLCVBFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(2)10-18-8-7-16-9-12-3-5-13(6-4-12)14(15)17/h3-6,16H,1,7-10H2,2H3,(H2,15,17).
What are the key properties of 4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]benzamide?
4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]benzamide is sourced from PubChem (CID 113258300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).