N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide

C11H14N2O2 — CID 68732786

IUPACN-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)[C@H](C)NC(=O)c1ccccc1
InChIInChI=1S/C11H14N2O2/c1-8(10(14)12-2)13-11(15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,14)(H,13,15)/t8-/m0/s1
InChIKeyXDGWGZNTONSHIB-QMMMGPOBSA-N
MW206.25 g/mol
LogP0.55
Rot. Bonds3

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

N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 68732786) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
PubChem CID68732786
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC NameN-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)[C@H](C)NC(=O)c1ccccc1
InChIInChI=1S/C11H14N2O2/c1-8(10(14)12-2)13-11(15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,14)(H,13,15)/t8-/m0/s1
InChIKeyXDGWGZNTONSHIB-QMMMGPOBSA-N
XLogP0.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 42909871
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]benzamide
CID 673653
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
4-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 47315821
N-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide
CID 65315325
N-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide
CID 71491154
3-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 47315731
N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102099
N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102098
N-[(2S)-1-[8-[[(2S)-2-benzamidopropanoyl]amino]octylamino]-1-oxopropan-2-yl]benzamide
CID 71491217
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
4-(chloromethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 54950383

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide (CID 68732786) is N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide is CNC(=O)[C@H](C)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is XDGWGZNTONSHIB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8(10(14)12-2)13-11(15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,14)(H,13,15)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide?
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 206.25 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 68732786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).