(2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide

C21H25NO4 — CID 8010131

IUPAC(2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCCOc1cc(C=O)ccc1O[C@H](C)C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C21H25NO4/c1-6-25-19-11-17(12-23)7-8-18(19)26-16(5)21(24)22-20-14(3)9-13(2)10-15(20)4/h7-12,16H,6H2,1-5H3,(H,22,24)/t16-/m1/s1
InChIKeyMWQVIHOEDAHATB-MRXNPFEDSA-N
MW355.43 g/mol
LogP4.23
Rot. Bonds7

About (2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide

(2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 8010131) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is (2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID8010131
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name(2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCCOc1cc(C=O)ccc1O[C@H](C)C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C21H25NO4/c1-6-25-19-11-17(12-23)7-8-18(19)26-16(5)21(24)22-20-14(3)9-13(2)10-15(20)4/h7-12,16H,6H2,1-5H3,(H,22,24)/t16-/m1/s1
InChIKeyMWQVIHOEDAHATB-MRXNPFEDSA-N
XLogP4.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 8010337
(2S)-2-(2-ethoxy-4-formylphenoxy)-N-(4-ethylphenyl)propanamide
CID 8009470
(2S)-N-(2,4-dichlorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 8009455
2-(2-ethoxy-4-formylphenoxy)-N-prop-2-ynylpropanamide
CID 43112291
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 8009854
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 8009841
(2R)-N-benzyl-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 9201112
(2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837680
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837681
(2S)-N-(2,6-dimethylphenyl)-2-(2-ethoxyphenoxy)propanamide
CID 40872944
(2S)-2-(4-bromo-2-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 7820119
2-(2,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 4944710

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of (2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide (CID 8010131) is (2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for (2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide is CCOc1cc(C=O)ccc1O[C@H](C)C(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of (2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is MWQVIHOEDAHATB-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25NO4/c1-6-25-19-11-17(12-23)7-8-18(19)26-16(5)21(24)22-20-14(3)9-13(2)10-15(20)4/h7-12,16H,6H2,1-5H3,(H,22,24)/t16-/m1/s1.
What are the key properties of (2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide?
(2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 355.43 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 8010131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).