2-[benzyl(methyl)amino]-N-propan-2-ylacetamide

C13H20N2O — CID 54808895

IUPAC2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)Cc1ccccc1
InChIInChI=1S/C13H20N2O/c1-11(2)14-13(16)10-15(3)9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,14,16)
InChIKeyQAHNZUZOSDNOBF-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.64
Rot. Bonds5

About 2-[benzyl(methyl)amino]-N-propan-2-ylacetamide

2-[benzyl(methyl)amino]-N-propan-2-ylacetamide (PubChem CID 54808895) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
PubChem CID54808895
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)Cc1ccccc1
InChIInChI=1S/C13H20N2O/c1-11(2)14-13(16)10-15(3)9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,14,16)
InChIKeyQAHNZUZOSDNOBF-UHFFFAOYSA-N
XLogP1.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid
CID 105345888
3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzoic acid
CID 54940692
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978
2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 79673031
2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 8912475
2-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 9040145
N-(benzylcarbamoyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 24674360
2-[[2-[benzyl-[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8913936
2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4876507
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 9199067
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78913304

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-propan-2-ylacetamide (CID 54808895) is 2-[benzyl(methyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-propan-2-ylacetamide?
The InChIKey is QAHNZUZOSDNOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11(2)14-13(16)10-15(3)9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,14,16).
What are the key properties of 2-[benzyl(methyl)amino]-N-propan-2-ylacetamide?
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide has a molecular weight of 220.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 54808895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).