3-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]benzamide

C12H17N3O2 — CID 61220189

IUPAC3-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]benzamide
SMILESCC(C)(NCc1cccc(C(N)=O)c1)C(N)=O
InChIInChI=1S/C12H17N3O2/c1-12(2,11(14)17)15-7-8-4-3-5-9(6-8)10(13)16/h3-6,15H,7H2,1-2H3,(H2,13,16)(H2,14,17)
InChIKeySSHUMPAOUCIKQI-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.14
Rot. Bonds5

About 3-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]benzamide

3-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]benzamide (PubChem CID 61220189) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]benzamide
PubChem CID61220189
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]benzamide
SMILESCC(C)(NCc1cccc(C(N)=O)c1)C(N)=O
InChIInChI=1S/C12H17N3O2/c1-12(2,11(14)17)15-7-8-4-3-5-9(6-8)10(13)16/h3-6,15H,7H2,1-2H3,(H2,13,16)(H2,14,17)
InChIKeySSHUMPAOUCIKQI-UHFFFAOYSA-N
XLogP0.14
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]benzamide?
The IUPAC name of 3-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]benzamide (CID 61220189) is 3-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]benzamide.
What is the SMILES notation for 3-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]benzamide?
The canonical SMILES for 3-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]benzamide is CC(C)(NCc1cccc(C(N)=O)c1)C(N)=O.
What is the InChIKey of 3-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]benzamide?
The InChIKey is SSHUMPAOUCIKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(2,11(14)17)15-7-8-4-3-5-9(6-8)10(13)16/h3-6,15H,7H2,1-2H3,(H2,13,16)(H2,14,17).
What are the key properties of 3-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]benzamide?
3-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]benzamide has a molecular weight of 235.29 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]benzamide is sourced from PubChem (CID 61220189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).