N-cyclopropyl-2-(2-formyl-4-methoxyphenoxy)propanamide

C14H17NO4 — CID 43212710

IUPACN-cyclopropyl-2-(2-formyl-4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NC2CC2)c(C=O)c1
InChIInChI=1S/C14H17NO4/c1-9(14(17)15-11-3-4-11)19-13-6-5-12(18-2)7-10(13)8-16/h5-9,11H,3-4H2,1-2H3,(H,15,17)
InChIKeyPYTGOBQZFMSQSI-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.55
Rot. Bonds6

About N-cyclopropyl-2-(2-formyl-4-methoxyphenoxy)propanamide

N-cyclopropyl-2-(2-formyl-4-methoxyphenoxy)propanamide (PubChem CID 43212710) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-formyl-4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-formyl-4-methoxyphenoxy)propanamide
PubChem CID43212710
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC NameN-cyclopropyl-2-(2-formyl-4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NC2CC2)c(C=O)c1
InChIInChI=1S/C14H17NO4/c1-9(14(17)15-11-3-4-11)19-13-6-5-12(18-2)7-10(13)8-16/h5-9,11H,3-4H2,1-2H3,(H,15,17)
InChIKeyPYTGOBQZFMSQSI-UHFFFAOYSA-N
XLogP1.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.55
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-(4-bromo-2-formylphenoxy)-N-cyclopentylpropanamide
CID 43082992
2-(2-acetyl-5-methoxyphenoxy)-N-cyclopropylpropanamide
CID 78906259
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
N-cyclopropyl-3-(2-formyl-4-methoxyphenoxy)propanamide
CID 55098349
(2R)-2-(2-formyl-4-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 8633901
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2,5-dimethoxybenzoate
CID 7487392
2-(4-methoxyphenoxy)-N-(4-methylcyclohexyl)propanamide
CID 51326792
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-cyclopentylpropanamide
CID 61268519
(2S)-N-cycloheptyl-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 40855971
N-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119478209
N-ethyl-2-(2-formyl-5-methoxyphenoxy)propanamide
CID 61267753
2-(2-formyl-5-methoxyphenoxy)-N-(2-methylpropyl)propanamide
CID 61269972

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-formyl-4-methoxyphenoxy)propanamide?
The IUPAC name of N-cyclopropyl-2-(2-formyl-4-methoxyphenoxy)propanamide (CID 43212710) is N-cyclopropyl-2-(2-formyl-4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-cyclopropyl-2-(2-formyl-4-methoxyphenoxy)propanamide?
The canonical SMILES for N-cyclopropyl-2-(2-formyl-4-methoxyphenoxy)propanamide is COc1ccc(OC(C)C(=O)NC2CC2)c(C=O)c1.
What is the InChIKey of N-cyclopropyl-2-(2-formyl-4-methoxyphenoxy)propanamide?
The InChIKey is PYTGOBQZFMSQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9(14(17)15-11-3-4-11)19-13-6-5-12(18-2)7-10(13)8-16/h5-9,11H,3-4H2,1-2H3,(H,15,17).
What are the key properties of N-cyclopropyl-2-(2-formyl-4-methoxyphenoxy)propanamide?
N-cyclopropyl-2-(2-formyl-4-methoxyphenoxy)propanamide has a molecular weight of 263.29 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-formyl-4-methoxyphenoxy)propanamide is sourced from PubChem (CID 43212710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).