4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide

C12H17N3O2 — CID 60674315

IUPAC4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
SMILESCNC(=O)C(C)NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H17N3O2/c1-8(12(17)14-2)15-7-9-3-5-10(6-4-9)11(13)16/h3-6,8,15H,7H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyIRXJQNWRTGLCHS-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.01
Rot. Bonds5

About 4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide

4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide (PubChem CID 60674315) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
PubChem CID60674315
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
SMILESCNC(=O)C(C)NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H17N3O2/c1-8(12(17)14-2)15-7-9-3-5-10(6-4-9)11(13)16/h3-6,8,15H,7H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyIRXJQNWRTGLCHS-UHFFFAOYSA-N
XLogP0.01
TPSA84.22 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 ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[4-[(propan-2-ylamino)methyl]phenoxy]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide?
The IUPAC name of 4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide (CID 60674315) is 4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide?
The canonical SMILES for 4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide is CNC(=O)C(C)NCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide?
The InChIKey is IRXJQNWRTGLCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(12(17)14-2)15-7-9-3-5-10(6-4-9)11(13)16/h3-6,8,15H,7H2,1-2H3,(H2,13,16)(H,14,17).
What are the key properties of 4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide?
4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide has a molecular weight of 235.29 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide is sourced from PubChem (CID 60674315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).