2-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide

C12H16N2O2 — CID 140559982

IUPAC2-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide
SMILESC[C@H](C(=O)N(C)C)c1ccccc1C(N)=O
InChIInChI=1S/C12H16N2O2/c1-8(12(16)14(2)3)9-6-4-5-7-10(9)11(13)15/h4-8H,1-3H3,(H2,13,15)/t8-/m0/s1
InChIKeyOMGZZHPAFOJMEI-QMMMGPOBSA-N
MW220.27 g/mol
LogP0.98
Rot. Bonds3

About 2-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide

2-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 140559982) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide
PubChem CID140559982
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide
SMILESC[C@H](C(=O)N(C)C)c1ccccc1C(N)=O
InChIInChI=1S/C12H16N2O2/c1-8(12(16)14(2)3)9-6-4-5-7-10(9)11(13)15/h4-8H,1-3H3,(H2,13,15)/t8-/m0/s1
InChIKeyOMGZZHPAFOJMEI-QMMMGPOBSA-N
XLogP0.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide (CID 140559982) is 2-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide is C[C@H](C(=O)N(C)C)c1ccccc1C(N)=O.
What is the InChIKey of 2-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is OMGZZHPAFOJMEI-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(12(16)14(2)3)9-6-4-5-7-10(9)11(13)15/h4-8H,1-3H3,(H2,13,15)/t8-/m0/s1.
What are the key properties of 2-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide?
2-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 220.27 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 140559982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).