(2R)-N-benzyl-2-(2-ethoxy-4-formylphenoxy)propanamide

C19H21NO4 — CID 9201112

IUPAC(2R)-N-benzyl-2-(2-ethoxy-4-formylphenoxy)propanamide
SMILESCCOc1cc(C=O)ccc1O[C@H](C)C(=O)NCc1ccccc1
InChIInChI=1S/C19H21NO4/c1-3-23-18-11-16(13-21)9-10-17(18)24-14(2)19(22)20-12-15-7-5-4-6-8-15/h4-11,13-14H,3,12H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyJFKWKMRZKFKSLL-CQSZACIVSA-N
MW327.38 g/mol
LogP2.98
Rot. Bonds8

About (2R)-N-benzyl-2-(2-ethoxy-4-formylphenoxy)propanamide

(2R)-N-benzyl-2-(2-ethoxy-4-formylphenoxy)propanamide (PubChem CID 9201112) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2R)-N-benzyl-2-(2-ethoxy-4-formylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-(2-ethoxy-4-formylphenoxy)propanamide
PubChem CID9201112
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(2R)-N-benzyl-2-(2-ethoxy-4-formylphenoxy)propanamide
SMILESCCOc1cc(C=O)ccc1O[C@H](C)C(=O)NCc1ccccc1
InChIInChI=1S/C19H21NO4/c1-3-23-18-11-16(13-21)9-10-17(18)24-14(2)19(22)20-12-15-7-5-4-6-8-15/h4-11,13-14H,3,12H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyJFKWKMRZKFKSLL-CQSZACIVSA-N
XLogP2.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.98
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-prop-2-ynylpropanamide
CID 43112291
(2S)-2-(2-ethoxy-4-formylphenoxy)-N-(4-ethylphenyl)propanamide
CID 8009470
(2R)-2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 41187411
N-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide
CID 43907670
(2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 8010131
methyl 4-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate
CID 92752909
(2S)-N-(2,4-dichlorophenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 8009455
(E)-N-benzyl-2-cyano-3-[4-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]prop-2-enamide
CID 7911739
N-benzyl-2-(2-butan-2-ylphenoxy)propanamide
CID 17129862
N-ethyl-2-(5-formyl-2-methoxyphenoxy)propanamide
CID 43085567
(2R)-2-(2-ethoxy-4-formylphenoxy)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 9201107
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 8009854

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-(2-ethoxy-4-formylphenoxy)propanamide?
The IUPAC name of (2R)-N-benzyl-2-(2-ethoxy-4-formylphenoxy)propanamide (CID 9201112) is (2R)-N-benzyl-2-(2-ethoxy-4-formylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-benzyl-2-(2-ethoxy-4-formylphenoxy)propanamide?
The canonical SMILES for (2R)-N-benzyl-2-(2-ethoxy-4-formylphenoxy)propanamide is CCOc1cc(C=O)ccc1O[C@H](C)C(=O)NCc1ccccc1.
What is the InChIKey of (2R)-N-benzyl-2-(2-ethoxy-4-formylphenoxy)propanamide?
The InChIKey is JFKWKMRZKFKSLL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-23-18-11-16(13-21)9-10-17(18)24-14(2)19(22)20-12-15-7-5-4-6-8-15/h4-11,13-14H,3,12H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-(2-ethoxy-4-formylphenoxy)propanamide?
(2R)-N-benzyl-2-(2-ethoxy-4-formylphenoxy)propanamide has a molecular weight of 327.38 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-(2-ethoxy-4-formylphenoxy)propanamide is sourced from PubChem (CID 9201112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).