2-(5-formyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide

C18H19NO4 — CID 7611853

IUPAC2-(5-formyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
SMILESCOc1ccc(C=O)cc1OCC(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H19NO4/c1-13(15-6-4-3-5-7-15)19-18(21)12-23-17-10-14(11-20)8-9-16(17)22-2/h3-11,13H,12H2,1-2H3,(H,19,21)/t13-/m1/s1
InChIKeyLSBFHEWEJLXDLQ-CYBMUJFWSA-N
MW313.35 g/mol
LogP2.76
Rot. Bonds7

About 2-(5-formyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide

2-(5-formyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 7611853) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-(5-formyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(5-formyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
PubChem CID7611853
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name2-(5-formyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
SMILESCOc1ccc(C=O)cc1OCC(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H19NO4/c1-13(15-6-4-3-5-7-15)19-18(21)12-23-17-10-14(11-20)8-9-16(17)22-2/h3-11,13H,12H2,1-2H3,(H,19,21)/t13-/m1/s1
InChIKeyLSBFHEWEJLXDLQ-CYBMUJFWSA-N
XLogP2.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.76
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-(5-formyl-2-methoxyphenoxy)-N-phenylacetamide
CID 7611771
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 8009356
2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7732618
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide
CID 19621809
2-(4-formyl-2-methoxyphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9263104
2-(2,6-dimethoxy-4-methylphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7695512
2-[2-methoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 1304469
2-(1-formylnaphthalen-2-yl)oxy-N-(1-phenylethyl)acetamide
CID 51140286
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-ethoxy-4-methoxybenzoate
CID 7558706
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 7944732
N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 24694058
N-[(1S)-1-phenylethyl]-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxyacetamide
CID 7919049

Frequently Asked Questions

What is the IUPAC name of 2-(5-formyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-(5-formyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide (CID 7611853) is 2-(5-formyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(5-formyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(5-formyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide is COc1ccc(C=O)cc1OCC(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of 2-(5-formyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is LSBFHEWEJLXDLQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19NO4/c1-13(15-6-4-3-5-7-15)19-18(21)12-23-17-10-14(11-20)8-9-16(17)22-2/h3-11,13H,12H2,1-2H3,(H,19,21)/t13-/m1/s1.
What are the key properties of 2-(5-formyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide?
2-(5-formyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 313.35 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 7611853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).