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

C11H14N2O2 — CID 23579223

IUPAC4-(aminomethyl)-N-(2-oxopropyl)benzamide
SMILESCC(=O)CNC(=O)c1ccc(CN)cc1
InChIInChI=1S/C11H14N2O2/c1-8(14)7-13-11(15)10-4-2-9(6-12)3-5-10/h2-5H,6-7,12H2,1H3,(H,13,15)
InChIKeyUBAQMDHMIYZWBV-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.46
Rot. Bonds4

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

4-(aminomethyl)-N-(2-oxopropyl)benzamide (PubChem CID 23579223) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-oxopropyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-oxopropyl)benzamide
PubChem CID23579223
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name4-(aminomethyl)-N-(2-oxopropyl)benzamide
SMILESCC(=O)CNC(=O)c1ccc(CN)cc1
InChIInChI=1S/C11H14N2O2/c1-8(14)7-13-11(15)10-4-2-9(6-12)3-5-10/h2-5H,6-7,12H2,1H3,(H,13,15)
InChIKeyUBAQMDHMIYZWBV-UHFFFAOYSA-N
XLogP0.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxopropyl)-4-[4-(2-oxopropylcarbamoyl)phenyl]benzamide
CID 70857142
4-bromo-N-(2-oxopropyl)benzamide
CID 64997331
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762
4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 106147923
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229542
4-(aminomethyl)-N-(propan-2-ylideneamino)benzamide
CID 118474736
4-(aminomethyl)-N-dodecylbenzamide
CID 67188292
4-(aminomethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 119277149
4-(aminomethyl)-N-[3-[(2-benzamidoacetyl)amino]propyl]benzamide
CID 82097377
4-(aminomethyl)-N-pent-3-ynylbenzamide
CID 116644093
4-[[4-(aminomethyl)benzoyl]amino]-3-methylbutanoic acid
CID 81073583
4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 115734394

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-oxopropyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(2-oxopropyl)benzamide (CID 23579223) is 4-(aminomethyl)-N-(2-oxopropyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-oxopropyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-oxopropyl)benzamide is CC(=O)CNC(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(2-oxopropyl)benzamide?
The InChIKey is UBAQMDHMIYZWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8(14)7-13-11(15)10-4-2-9(6-12)3-5-10/h2-5H,6-7,12H2,1H3,(H,13,15).
What are the key properties of 4-(aminomethyl)-N-(2-oxopropyl)benzamide?
4-(aminomethyl)-N-(2-oxopropyl)benzamide has a molecular weight of 206.24 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-oxopropyl)benzamide is sourced from PubChem (CID 23579223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).