N-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide

C14H21N3O2 — CID 2207238

IUPACN-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide
SMILESC[C@@H](NC(=O)C(=O)NCCN(C)C)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-11(12-7-5-4-6-8-12)16-14(19)13(18)15-9-10-17(2)3/h4-8,11H,9-10H2,1-3H3,(H,15,18)(H,16,19)/t11-/m1/s1
InChIKeyORFXAOFNICKTPT-LLVKDONJSA-N
MW263.34 g/mol
LogP0.54
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide

N-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide (PubChem CID 2207238) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide
PubChem CID2207238
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide
SMILESC[C@@H](NC(=O)C(=O)NCCN(C)C)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-11(12-7-5-4-6-8-12)16-14(19)13(18)15-9-10-17(2)3/h4-8,11H,9-10H2,1-3H3,(H,15,18)(H,16,19)/t11-/m1/s1
InChIKeyORFXAOFNICKTPT-LLVKDONJSA-N
XLogP0.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-[(1R)-1-phenylethyl]thiourea
CID 8656313
N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide
CID 108507932
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108960183
N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide
CID 2249935
N-octyl-N'-[(1R)-1-phenylethyl]oxamide
CID 124544737
N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40978744
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 42109135
N-[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide
CID 2184828
(2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid
CID 104898882
2-amino-N-[2-(dimethylamino)ethyl]-2-phenylacetamide;hydrochloride
CID 120994237
3-[2-(dimethylamino)ethylcarbamoylamino]-3-phenylpropanoic acid
CID 61188146

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide (CID 2207238) is N-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide is C[C@@H](NC(=O)C(=O)NCCN(C)C)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide?
The InChIKey is ORFXAOFNICKTPT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11(12-7-5-4-6-8-12)16-14(19)13(18)15-9-10-17(2)3/h4-8,11H,9-10H2,1-3H3,(H,15,18)(H,16,19)/t11-/m1/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide?
N-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide has a molecular weight of 263.34 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide is sourced from PubChem (CID 2207238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).