N'-(4-ethoxyphenyl)-N-[(2R)-2-phenylpropyl]oxamide

C19H22N2O3 — CID 40977164

IUPACN'-(4-ethoxyphenyl)-N-[(2R)-2-phenylpropyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NC[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-24-17-11-9-16(10-12-17)21-19(23)18(22)20-13-14(2)15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,20,22)(H,21,23)/t14-/m0/s1
InChIKeyDTBARZUETNYWDP-AWEZNQCLSA-N
MW326.40 g/mol
LogP2.94
Rot. Bonds6

About N'-(4-ethoxyphenyl)-N-[(2R)-2-phenylpropyl]oxamide

N'-(4-ethoxyphenyl)-N-[(2R)-2-phenylpropyl]oxamide (PubChem CID 40977164) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)-N-[(2R)-2-phenylpropyl]oxamide.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)-N-[(2R)-2-phenylpropyl]oxamide
PubChem CID40977164
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN'-(4-ethoxyphenyl)-N-[(2R)-2-phenylpropyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NC[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-24-17-11-9-16(10-12-17)21-19(23)18(22)20-13-14(2)15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,20,22)(H,21,23)/t14-/m0/s1
InChIKeyDTBARZUETNYWDP-AWEZNQCLSA-N
XLogP2.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.94
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

N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]-2-sulfanylideneacetamide
CID 7375064
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 85007833
N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898537
1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea
CID 95157706
N-(4-ethoxyphenyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 108500462
N-(4-ethoxyphenyl)-3,3-diphenylpropanamide
CID 836173
1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea
CID 40635808
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(4-ethoxyphenyl)oxamide
CID 7192210
N-[4-(2-methylpropoxy)phenyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40977489
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
N'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 2989314

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxyphenyl)-N-[(2R)-2-phenylpropyl]oxamide?
The IUPAC name of N'-(4-ethoxyphenyl)-N-[(2R)-2-phenylpropyl]oxamide (CID 40977164) is N'-(4-ethoxyphenyl)-N-[(2R)-2-phenylpropyl]oxamide.
What is the SMILES notation for N'-(4-ethoxyphenyl)-N-[(2R)-2-phenylpropyl]oxamide?
The canonical SMILES for N'-(4-ethoxyphenyl)-N-[(2R)-2-phenylpropyl]oxamide is CCOc1ccc(NC(=O)C(=O)NC[C@H](C)c2ccccc2)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)-N-[(2R)-2-phenylpropyl]oxamide?
The InChIKey is DTBARZUETNYWDP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-24-17-11-9-16(10-12-17)21-19(23)18(22)20-13-14(2)15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,20,22)(H,21,23)/t14-/m0/s1.
What are the key properties of N'-(4-ethoxyphenyl)-N-[(2R)-2-phenylpropyl]oxamide?
N'-(4-ethoxyphenyl)-N-[(2R)-2-phenylpropyl]oxamide has a molecular weight of 326.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyphenyl)-N-[(2R)-2-phenylpropyl]oxamide is sourced from PubChem (CID 40977164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).