N-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide

C12H16N2O3 — CID 6593599

IUPACN-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide
SMILESC[C@H](O)CNC(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-9(15)7-13-11(16)12(17)14-8-10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3,(H,13,16)(H,14,17)/t9-/m0/s1
InChIKeyXJZSNABHFGBXJT-VIFPVBQESA-N
MW236.27 g/mol
LogP-0.20
Rot. Bonds4

About N-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide

N-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide (PubChem CID 6593599) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide.

Molecular Properties

Compound NameN-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide
PubChem CID6593599
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide
SMILESC[C@H](O)CNC(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-9(15)7-13-11(16)12(17)14-8-10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3,(H,13,16)(H,14,17)/t9-/m0/s1
InChIKeyXJZSNABHFGBXJT-VIFPVBQESA-N
XLogP-0.20
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-(2-hydroxypropyl)urea
CID 103604143
N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide
CID 44998654
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide
CID 51471613
N-benzyl-3-(2-hydroxypropylamino)propanamide
CID 54048354
N-benzyl-N'-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide
CID 71803886
(2S)-1-(benzylamino)propan-2-ol
CID 964914
N'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide
CID 108521320
1-benzyl-3-(3-hydroxybutyl)urea
CID 103670110
N-benzyl-2-methylpropanamide;methane
CID 160760567
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
N-(2-methylpropyl)-2-oxo-3-phenylpropanamide
CID 94682704

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide?
The IUPAC name of N-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide (CID 6593599) is N-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide.
What is the SMILES notation for N-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide?
The canonical SMILES for N-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide is C[C@H](O)CNC(=O)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide?
The InChIKey is XJZSNABHFGBXJT-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9(15)7-13-11(16)12(17)14-8-10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3,(H,13,16)(H,14,17)/t9-/m0/s1.
What are the key properties of N-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide?
N-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide has a molecular weight of 236.27 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide is sourced from PubChem (CID 6593599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).