4-(aminomethyl)-N-(2-methylpropoxy)benzamide

C12H18N2O2 — CID 82721691

IUPAC4-(aminomethyl)-N-(2-methylpropoxy)benzamide
SMILESCC(C)CONC(=O)c1ccc(CN)cc1
InChIInChI=1S/C12H18N2O2/c1-9(2)8-16-14-12(15)11-5-3-10(7-13)4-6-11/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyXYOHUDZZLIZGHG-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.46
Rot. Bonds5

About 4-(aminomethyl)-N-(2-methylpropoxy)benzamide

4-(aminomethyl)-N-(2-methylpropoxy)benzamide (PubChem CID 82721691) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methylpropoxy)benzamide
PubChem CID82721691
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-(aminomethyl)-N-(2-methylpropoxy)benzamide
SMILESCC(C)CONC(=O)c1ccc(CN)cc1
InChIInChI=1S/C12H18N2O2/c1-9(2)8-16-14-12(15)11-5-3-10(7-13)4-6-11/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyXYOHUDZZLIZGHG-UHFFFAOYSA-N
XLogP1.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(2-methylpropoxy)benzamide
CID 115410038
3,4-dichloro-N-(2-methylpropoxy)benzamide
CID 115409805
4-hydroxy-3-methyl-N-(2-methylpropoxy)benzamide
CID 103956177
4-(aminomethyl)-N-(6-hydroxy-7-methoxyheptoxy)benzamide
CID 163196869
3,5-dibromo-N-(2-methylpropoxy)benzamide
CID 103908515
4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
CID 30046782
N-(2-methylpropoxy)quinoxaline-6-carboxamide
CID 113304462
N-(2-methylpropoxy)-2,3-dihydro-1H-indene-5-carboxamide
CID 115409893
4-(aminomethyl)-N-(2-oxopropyl)benzamide
CID 23579223
4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 119331702
2,3-dihydroxy-N-(2-methylpropoxy)benzamide
CID 114344886
4-(aminomethyl)-N-(2,2,6-trimethylheptan-3-yl)benzamide;hydrochloride
CID 119325324

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methylpropoxy)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(2-methylpropoxy)benzamide (CID 82721691) is 4-(aminomethyl)-N-(2-methylpropoxy)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methylpropoxy)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-methylpropoxy)benzamide is CC(C)CONC(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methylpropoxy)benzamide?
The InChIKey is XYOHUDZZLIZGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)8-16-14-12(15)11-5-3-10(7-13)4-6-11/h3-6,9H,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of 4-(aminomethyl)-N-(2-methylpropoxy)benzamide?
4-(aminomethyl)-N-(2-methylpropoxy)benzamide has a molecular weight of 222.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methylpropoxy)benzamide is sourced from PubChem (CID 82721691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).