N-[2-[2-(2-formylphenoxy)phenyl]ethyl]acetamide

C17H17NO3 — CID 59447876

IUPACN-[2-[2-(2-formylphenoxy)phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccccc1Oc1ccccc1C=O
InChIInChI=1S/C17H17NO3/c1-13(20)18-11-10-14-6-2-4-8-16(14)21-17-9-5-3-7-15(17)12-19/h2-9,12H,10-11H2,1H3,(H,18,20)
InChIKeyBLDNJCROJOHNHQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.97
Rot. Bonds6

About N-[2-[2-(2-formylphenoxy)phenyl]ethyl]acetamide

N-[2-[2-(2-formylphenoxy)phenyl]ethyl]acetamide (PubChem CID 59447876) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[2-[2-(2-formylphenoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(2-formylphenoxy)phenyl]ethyl]acetamide
PubChem CID59447876
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-[2-[2-(2-formylphenoxy)phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccccc1Oc1ccccc1C=O
InChIInChI=1S/C17H17NO3/c1-13(20)18-11-10-14-6-2-4-8-16(14)21-17-9-5-3-7-15(17)12-19/h2-9,12H,10-11H2,1H3,(H,18,20)
InChIKeyBLDNJCROJOHNHQ-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide
CID 110609793
[(Z)-[2-[2-(2-bromoethyl)phenoxy]phenyl]methylideneamino]urea
CID 125473703
N-(4-acetamidobutyl)-2-(2-acetyl-3-formylphenoxy)acetamide
CID 153330138
(E)-3-(2-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylprop-2-enamide
CID 110298647
2-(2,3,6-trimethylphenoxy)benzaldehyde
CID 43345612
2-(3-oxobutan-2-yloxy)benzaldehyde
CID 23468859
(2-formylphenyl) 2-methoxycarbonyloxybenzoate
CID 10402512
N-[2-[2-(2-fluorophenyl)ethylamino]ethyl]acetamide
CID 103604204
N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]acetamide
CID 47448428
N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride
CID 119093580
N-[4-(2-methoxyphenyl)but-3-enyl]acetamide
CID 170488272
2-[2-[2-(2-acetamidoethylamino)-2-oxoethoxy]phenyl]acetic acid
CID 80723765

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-formylphenoxy)phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(2-formylphenoxy)phenyl]ethyl]acetamide (CID 59447876) is N-[2-[2-(2-formylphenoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(2-formylphenoxy)phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(2-formylphenoxy)phenyl]ethyl]acetamide is CC(=O)NCCc1ccccc1Oc1ccccc1C=O.
What is the InChIKey of N-[2-[2-(2-formylphenoxy)phenyl]ethyl]acetamide?
The InChIKey is BLDNJCROJOHNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-13(20)18-11-10-14-6-2-4-8-16(14)21-17-9-5-3-7-15(17)12-19/h2-9,12H,10-11H2,1H3,(H,18,20).
What are the key properties of N-[2-[2-(2-formylphenoxy)phenyl]ethyl]acetamide?
N-[2-[2-(2-formylphenoxy)phenyl]ethyl]acetamide has a molecular weight of 283.33 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-formylphenoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 59447876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).