N-[1-(2-formylphenoxy)-2-phenylethyl]acetamide

C17H17NO3 — CID 87535950

IUPACN-[1-(2-formylphenoxy)-2-phenylethyl]acetamide
SMILESCC(=O)NC(Cc1ccccc1)Oc1ccccc1C=O
InChIInChI=1S/C17H17NO3/c1-13(20)18-17(11-14-7-3-2-4-8-14)21-16-10-6-5-9-15(16)12-19/h2-10,12,17H,11H2,1H3,(H,18,20)
InChIKeyIRJXPKCDOSSQMK-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.58
Rot. Bonds6

About N-[1-(2-formylphenoxy)-2-phenylethyl]acetamide

N-[1-(2-formylphenoxy)-2-phenylethyl]acetamide (PubChem CID 87535950) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[1-(2-formylphenoxy)-2-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[1-(2-formylphenoxy)-2-phenylethyl]acetamide
PubChem CID87535950
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-[1-(2-formylphenoxy)-2-phenylethyl]acetamide
SMILESCC(=O)NC(Cc1ccccc1)Oc1ccccc1C=O
InChIInChI=1S/C17H17NO3/c1-13(20)18-17(11-14-7-3-2-4-8-14)21-16-10-6-5-9-15(16)12-19/h2-10,12,17H,11H2,1H3,(H,18,20)
InChIKeyIRJXPKCDOSSQMK-UHFFFAOYSA-N
XLogP2.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethane;formic acid;N-(1-phenylpropan-2-yl)acetamide
CID 177356857
methyl (2S)-2-[[2-[2-(2-formylphenoxy)acetyl]oxyacetyl]amino]-3-phenylpropanoate
CID 9197807
2-(2-formylphenoxy)butanamide
CID 62900622
ethyl 2-fluoro-2-(2-formylphenoxy)acetate
CID 146450641
ethyl 2-(2-formylphenoxy)-2-phenylacetate
CID 15741875
N-(1-phenylbutan-2-yl)acetamide
CID 2826983
N-[(2R)-1-phenylbutan-2-yl]acetamide
CID 778652
[1-[[5-[(1-acetyloxy-2-phenylethyl)amino]-5-oxopentanoyl]amino]-2-phenylethyl] acetate
CID 2725782
N-[1-[2-[3-(2-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-2-phenylethyl]acetamide
CID 68669015
(2S)-2-(2-formylphenoxy)-N-(2-phenylphenyl)propanamide
CID 7762821
methyl N-(1-methoxy-2-phenylethyl)carbamate
CID 11085058
fluoro 2-acetamido-3-phenylpropanoate
CID 171034994

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-formylphenoxy)-2-phenylethyl]acetamide?
The IUPAC name of N-[1-(2-formylphenoxy)-2-phenylethyl]acetamide (CID 87535950) is N-[1-(2-formylphenoxy)-2-phenylethyl]acetamide.
What is the SMILES notation for N-[1-(2-formylphenoxy)-2-phenylethyl]acetamide?
The canonical SMILES for N-[1-(2-formylphenoxy)-2-phenylethyl]acetamide is CC(=O)NC(Cc1ccccc1)Oc1ccccc1C=O.
What is the InChIKey of N-[1-(2-formylphenoxy)-2-phenylethyl]acetamide?
The InChIKey is IRJXPKCDOSSQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-13(20)18-17(11-14-7-3-2-4-8-14)21-16-10-6-5-9-15(16)12-19/h2-10,12,17H,11H2,1H3,(H,18,20).
What are the key properties of N-[1-(2-formylphenoxy)-2-phenylethyl]acetamide?
N-[1-(2-formylphenoxy)-2-phenylethyl]acetamide has a molecular weight of 283.33 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-formylphenoxy)-2-phenylethyl]acetamide is sourced from PubChem (CID 87535950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).