2-(benzylamino)-N-methylacetamide

C10H14N2O — CID 562459

IUPAC2-(benzylamino)-N-methylacetamide
SMILESCNC(=O)CNCc1ccccc1
InChIInChI=1S/C10H14N2O/c1-11-10(13)8-12-7-9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3,(H,11,13)
InChIKeyDIVDOIBIQCYJML-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.52
Rot. Bonds4

About 2-(benzylamino)-N-methylacetamide

2-(benzylamino)-N-methylacetamide (PubChem CID 562459) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-(benzylamino)-N-methylacetamide.

Molecular Properties

Compound Name2-(benzylamino)-N-methylacetamide
PubChem CID562459
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-(benzylamino)-N-methylacetamide
SMILESCNC(=O)CNCc1ccccc1
InChIInChI=1S/C10H14N2O/c1-11-10(13)8-12-7-9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3,(H,11,13)
InChIKeyDIVDOIBIQCYJML-UHFFFAOYSA-N
XLogP0.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-methylacetamide?
The IUPAC name of 2-(benzylamino)-N-methylacetamide (CID 562459) is 2-(benzylamino)-N-methylacetamide.
What is the SMILES notation for 2-(benzylamino)-N-methylacetamide?
The canonical SMILES for 2-(benzylamino)-N-methylacetamide is CNC(=O)CNCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-N-methylacetamide?
The InChIKey is DIVDOIBIQCYJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-11-10(13)8-12-7-9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3,(H,11,13).
What are the key properties of 2-(benzylamino)-N-methylacetamide?
2-(benzylamino)-N-methylacetamide has a molecular weight of 178.24 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-methylacetamide is sourced from PubChem (CID 562459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).