N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide

C12H16N2O3 — CID 83031754

IUPACN-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
SMILESC[C@@H](O)CNC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C12H16N2O3/c1-9(15)7-13-11(16)8-14-12(17)10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3,(H,13,16)(H,14,17)/t9-/m1/s1
InChIKeyRDOQHVIQOVOKDI-SECBINFHSA-N
MW236.27 g/mol
LogP-0.09
Rot. Bonds5

About N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide

N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide (PubChem CID 83031754) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
PubChem CID83031754
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
SMILESC[C@@H](O)CNC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C12H16N2O3/c1-9(15)7-13-11(16)8-14-12(17)10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3,(H,13,16)(H,14,17)/t9-/m1/s1
InChIKeyRDOQHVIQOVOKDI-SECBINFHSA-N
XLogP-0.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
CID 83031853
N-[6-(2-hydroxypropylamino)-6-oxohexyl]benzamide
CID 110839352
N-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 111120128
N-(2-hydroxypropyl)-4-phenylbenzamide
CID 43391038
2-[(2-benzamidoacetyl)amino]propanedioic acid
CID 44626300
4-methyl-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400864
(2S)-2-[(2-benzamidoacetyl)amino]-3-methylbutanoic acid
CID 11054996
4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400868
(2S)-2-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695696
N-[2-[[2-[4-[[2-[(2-benzamidoacetyl)amino]acetyl]amino]butylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 101335616
N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 42910697
N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 42910539

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide (CID 83031754) is N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide is C[C@@H](O)CNC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide?
The InChIKey is RDOQHVIQOVOKDI-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9(15)7-13-11(16)8-14-12(17)10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3,(H,13,16)(H,14,17)/t9-/m1/s1.
What are the key properties of N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide?
N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide has a molecular weight of 236.27 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 83031754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).