2-(4-formylphenoxy)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide

C20H23NO4 — CID 78867601

IUPAC2-(4-formylphenoxy)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)COc2ccc(C=O)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-14(2)25-19-10-6-17(7-11-19)15(3)21-20(23)13-24-18-8-4-16(12-22)5-9-18/h4-12,14-15H,13H2,1-3H3,(H,21,23)
InChIKeyHCPVLURLQBPZTL-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.54
Rot. Bonds8

About 2-(4-formylphenoxy)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide

2-(4-formylphenoxy)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide (PubChem CID 78867601) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(4-formylphenoxy)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-formylphenoxy)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
PubChem CID78867601
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-(4-formylphenoxy)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)COc2ccc(C=O)cc2)cc1
InChIInChI=1S/C20H23NO4/c1-14(2)25-19-10-6-17(7-11-19)15(3)21-20(23)13-24-18-8-4-16(12-22)5-9-18/h4-12,14-15H,13H2,1-3H3,(H,21,23)
InChIKeyHCPVLURLQBPZTL-UHFFFAOYSA-N
XLogP3.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.54
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

5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 43696732
2-amino-N-[2-oxo-2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethyl]acetamide
CID 60846458
2-ethoxy-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 60706778
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632446
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide
CID 9218863
2-(4-methoxyphenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060669
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119285649
N-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876929
N-[1-(4-ethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17326918
2-(4-acetylphenoxy)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 51295837
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7948935

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylphenoxy)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-formylphenoxy)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide (CID 78867601) is 2-(4-formylphenoxy)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-formylphenoxy)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-formylphenoxy)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide is CC(C)Oc1ccc(C(C)NC(=O)COc2ccc(C=O)cc2)cc1.
What is the InChIKey of 2-(4-formylphenoxy)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The InChIKey is HCPVLURLQBPZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14(2)25-19-10-6-17(7-11-19)15(3)21-20(23)13-24-18-8-4-16(12-22)5-9-18/h4-12,14-15H,13H2,1-3H3,(H,21,23).
What are the key properties of 2-(4-formylphenoxy)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide?
2-(4-formylphenoxy)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide has a molecular weight of 341.41 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylphenoxy)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide is sourced from PubChem (CID 78867601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).