4-[(2-prop-2-enoxyethylamino)methyl]benzamide

C13H18N2O2 — CID 113362799

IUPAC4-[(2-prop-2-enoxyethylamino)methyl]benzamide
SMILESC=CCOCCNCc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H18N2O2/c1-2-8-17-9-7-15-10-11-3-5-12(6-4-11)13(14)16/h2-6,15H,1,7-10H2,(H2,14,16)
InChIKeySQKOMTAIDWIIDK-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.08
Rot. Bonds8

About 4-[(2-prop-2-enoxyethylamino)methyl]benzamide

4-[(2-prop-2-enoxyethylamino)methyl]benzamide (PubChem CID 113362799) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[(2-prop-2-enoxyethylamino)methyl]benzamide.

Molecular Properties

Compound Name4-[(2-prop-2-enoxyethylamino)methyl]benzamide
PubChem CID113362799
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-[(2-prop-2-enoxyethylamino)methyl]benzamide
SMILESC=CCOCCNCc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H18N2O2/c1-2-8-17-9-7-15-10-11-3-5-12(6-4-11)13(14)16/h2-6,15H,1,7-10H2,(H2,14,16)
InChIKeySQKOMTAIDWIIDK-UHFFFAOYSA-N
XLogP1.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.08
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'}

Analyze 4-[(2-prop-2-enoxyethylamino)methyl]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

4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]benzamide
CID 113258300
4-[(prop-2-enylamino)methyl]benzamide
CID 28563456
methyl 4-[(2-but-3-enoxyethylamino)methyl]benzoate
CID 103923899
4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide
CID 43420714
4-amino-3-(2-prop-2-enoxyethylamino)benzamide
CID 114264610
3-[(2-but-3-enoxyethylamino)methyl]-4-fluorobenzamide
CID 106401656
4-[[2-(4-chlorophenyl)ethylamino]methyl]benzamide
CID 43232715
4-[(pent-3-ynylamino)methyl]benzamide
CID 116642949
4-[[2-(diethylamino)ethylamino]methyl]benzamide
CID 28580136
4-[[[3-(ethylamino)-3-oxopropyl]amino]methyl]benzamide
CID 113409672
4-[(4-methylsulfanylbutylamino)methyl]benzamide
CID 113239088
4-[(5-methylhexylamino)methyl]benzamide
CID 79002955

Frequently Asked Questions

What is the IUPAC name of 4-[(2-prop-2-enoxyethylamino)methyl]benzamide?
The IUPAC name of 4-[(2-prop-2-enoxyethylamino)methyl]benzamide (CID 113362799) is 4-[(2-prop-2-enoxyethylamino)methyl]benzamide.
What is the SMILES notation for 4-[(2-prop-2-enoxyethylamino)methyl]benzamide?
The canonical SMILES for 4-[(2-prop-2-enoxyethylamino)methyl]benzamide is C=CCOCCNCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(2-prop-2-enoxyethylamino)methyl]benzamide?
The InChIKey is SQKOMTAIDWIIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-8-17-9-7-15-10-11-3-5-12(6-4-11)13(14)16/h2-6,15H,1,7-10H2,(H2,14,16).
What are the key properties of 4-[(2-prop-2-enoxyethylamino)methyl]benzamide?
4-[(2-prop-2-enoxyethylamino)methyl]benzamide has a molecular weight of 234.30 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-prop-2-enoxyethylamino)methyl]benzamide is sourced from PubChem (CID 113362799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).