(2S)-2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide

C14H20N2O2 — CID 95125483

IUPAC(2S)-2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)[C@H](C)N(C)Cc1ccc(C(C)=O)cc1
InChIInChI=1S/C14H20N2O2/c1-10(14(18)15-3)16(4)9-12-5-7-13(8-6-12)11(2)17/h5-8,10H,9H2,1-4H3,(H,15,18)/t10-/m0/s1
InChIKeyFURUQYQITIJGCO-JTQLQIEISA-N
MW248.33 g/mol
LogP1.46
Rot. Bonds5

About (2S)-2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide

(2S)-2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide (PubChem CID 95125483) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S)-2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide
PubChem CID95125483
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2S)-2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)[C@H](C)N(C)Cc1ccc(C(C)=O)cc1
InChIInChI=1S/C14H20N2O2/c1-10(14(18)15-3)16(4)9-12-5-7-13(8-6-12)11(2)17/h5-8,10H,9H2,1-4H3,(H,15,18)/t10-/m0/s1
InChIKeyFURUQYQITIJGCO-JTQLQIEISA-N
XLogP1.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide
CID 50960177
(2R)-N-(4-acetylphenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517311
N-(4-acetylphenyl)-2-[(4-chlorophenyl)methyl-methylamino]propanamide
CID 42911459
(2S)-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
CID 8594903
(2S)-N-(4-acetylphenyl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]propanamide
CID 2504362
(2S)-N-methyl-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
CID 8925628
(2R)-N-(4-acetylphenyl)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propanamide
CID 8746326
(2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 9024362
(2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 8907646
4-[[methyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]methyl]benzoic acid
CID 60978207
(2R)-2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 9251723
(2R)-2-[2,1,3-benzoxadiazol-5-ylmethyl(methyl)amino]-N-methylpropanamide
CID 124751778

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide?
The IUPAC name of (2S)-2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide (CID 95125483) is (2S)-2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide?
The canonical SMILES for (2S)-2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide is CNC(=O)[C@H](C)N(C)Cc1ccc(C(C)=O)cc1.
What is the InChIKey of (2S)-2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide?
The InChIKey is FURUQYQITIJGCO-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(14(18)15-3)16(4)9-12-5-7-13(8-6-12)11(2)17/h5-8,10H,9H2,1-4H3,(H,15,18)/t10-/m0/s1.
What are the key properties of (2S)-2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide?
(2S)-2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide has a molecular weight of 248.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide is sourced from PubChem (CID 95125483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).