N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide

C13H18N2O3 — CID 2291148

IUPACN-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
SMILESC[C@H](NC(=O)C(=O)NC[C@@H](C)O)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-9(16)8-14-12(17)13(18)15-10(2)11-6-4-3-5-7-11/h3-7,9-10,16H,8H2,1-2H3,(H,14,17)(H,15,18)/t9-,10+/m1/s1
InChIKeyWZGQTPFRKYIKJX-ZJUUUORDSA-N
MW250.30 g/mol
LogP0.36
Rot. Bonds4

About N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide

N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide (PubChem CID 2291148) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
PubChem CID2291148
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
SMILESC[C@H](NC(=O)C(=O)NC[C@@H](C)O)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-9(16)8-14-12(17)13(18)15-10(2)11-6-4-3-5-7-11/h3-7,9-10,16H,8H2,1-2H3,(H,14,17)(H,15,18)/t9-,10+/m1/s1
InChIKeyWZGQTPFRKYIKJX-ZJUUUORDSA-N
XLogP0.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.36
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

N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40978744
N-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2207238
N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide
CID 108507932
N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide
CID 2249935
N-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide
CID 6593599
N-octyl-N'-[(1R)-1-phenylethyl]oxamide
CID 124544737
N-[(4-chlorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2844386
N-[(4-fluorophenyl)methyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2201157
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2951597
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 99903169
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(1-phenylethyl)oxamide
CID 71810558

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide (CID 2291148) is N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide is C[C@H](NC(=O)C(=O)NC[C@@H](C)O)c1ccccc1.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide?
The InChIKey is WZGQTPFRKYIKJX-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(16)8-14-12(17)13(18)15-10(2)11-6-4-3-5-7-11/h3-7,9-10,16H,8H2,1-2H3,(H,14,17)(H,15,18)/t9-,10+/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide?
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide has a molecular weight of 250.30 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide is sourced from PubChem (CID 2291148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).