N-[(1S)-1-phenylethyl]-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide

C21H26N2O2 — CID 30405095

IUPACN-[(1S)-1-phenylethyl]-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide
SMILESCc1cc(C)c([C@@H](C)NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1C
InChIInChI=1S/C21H26N2O2/c1-13-11-15(3)19(12-14(13)2)17(5)23-21(25)20(24)22-16(4)18-9-7-6-8-10-18/h6-12,16-17H,1-5H3,(H,22,24)(H,23,25)/t16-,17+/m0/s1
InChIKeyNKVNOFIWKHVUMT-DLBZAZTESA-N
MW338.45 g/mol
LogP3.67
Rot. Bonds4

About N-[(1S)-1-phenylethyl]-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide

N-[(1S)-1-phenylethyl]-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide (PubChem CID 30405095) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide
PubChem CID30405095
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[(1S)-1-phenylethyl]-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide
SMILESCc1cc(C)c([C@@H](C)NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1C
InChIInChI=1S/C21H26N2O2/c1-13-11-15(3)19(12-14(13)2)17(5)23-21(25)20(24)22-16(4)18-9-7-6-8-10-18/h6-12,16-17H,1-5H3,(H,22,24)(H,23,25)/t16-,17+/m0/s1
InChIKeyNKVNOFIWKHVUMT-DLBZAZTESA-N
XLogP3.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 133217691
2-phenoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 133220210
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402629
N-(furan-2-ylmethyl)-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide
CID 30405111
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148
N-[3-(trifluoromethyl)phenyl]-N'-[1-(2,4,5-trimethylphenyl)ethyl]oxamide
CID 43906797
(2R)-2-phenyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]ethanol
CID 103788833
N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(1-phenylethyl)oxamide
CID 71810558
N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40978744
2-(4-methylphenyl)-2-oxo-N-(1-phenylethyl)acetamide
CID 47121155

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide (CID 30405095) is N-[(1S)-1-phenylethyl]-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide is Cc1cc(C)c([C@@H](C)NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1C.
What is the InChIKey of N-[(1S)-1-phenylethyl]-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide?
The InChIKey is NKVNOFIWKHVUMT-DLBZAZTESA-N. The full InChI is InChI=1S/C21H26N2O2/c1-13-11-15(3)19(12-14(13)2)17(5)23-21(25)20(24)22-16(4)18-9-7-6-8-10-18/h6-12,16-17H,1-5H3,(H,22,24)(H,23,25)/t16-,17+/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide?
N-[(1S)-1-phenylethyl]-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide has a molecular weight of 338.45 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide is sourced from PubChem (CID 30405095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).