2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylpropanamide

C14H18ClNO4 — CID 104665459

IUPAC2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1c(C=O)cc(Cl)cc1OC
InChIInChI=1S/C14H18ClNO4/c1-4-5-16-14(18)9(2)20-13-10(8-17)6-11(15)7-12(13)19-3/h6-9H,4-5H2,1-3H3,(H,16,18)
InChIKeyOETSIAKVKISOQN-UHFFFAOYSA-N
MW299.75 g/mol
LogP2.45
Rot. Bonds7

About 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylpropanamide

2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylpropanamide (PubChem CID 104665459) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylpropanamide
PubChem CID104665459
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1c(C=O)cc(Cl)cc1OC
InChIInChI=1S/C14H18ClNO4/c1-4-5-16-14(18)9(2)20-13-10(8-17)6-11(15)7-12(13)19-3/h6-9H,4-5H2,1-3H3,(H,16,18)
InChIKeyOETSIAKVKISOQN-UHFFFAOYSA-N
XLogP2.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 52.45
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-chloro-2-formyl-6-methoxyphenoxy)-N-propylacetamide
CID 113438774
2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-(3-methylbutyl)acetamide
CID 104665319
5-chloro-3-methoxy-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzaldehyde
CID 104665561
2-(2,4-dichloro-6-formylphenoxy)-N-prop-2-ynylpropanamide
CID 43515928
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-prop-2-enylpropanamide
CID 104666115
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-propylpropanamide
CID 43515713
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide
CID 43471966
2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-propylpropanamide
CID 43276703
5-chloro-3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 104665527
2-[2-(2-aminoethyl)-4-chloro-6-methoxyphenoxy]-N-prop-2-ynylpropanamide
CID 104666760
2-[4-chloro-2-(propylaminomethyl)phenoxy]-N-propylpropanamide
CID 43277990
2-(2-formyl-5-methoxyphenoxy)-N-pentylpropanamide
CID 61267567

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylpropanamide?
The IUPAC name of 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylpropanamide (CID 104665459) is 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylpropanamide.
What is the SMILES notation for 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylpropanamide?
The canonical SMILES for 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylpropanamide is CCCNC(=O)C(C)Oc1c(C=O)cc(Cl)cc1OC.
What is the InChIKey of 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylpropanamide?
The InChIKey is OETSIAKVKISOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-4-5-16-14(18)9(2)20-13-10(8-17)6-11(15)7-12(13)19-3/h6-9H,4-5H2,1-3H3,(H,16,18).
What are the key properties of 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylpropanamide?
2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylpropanamide has a molecular weight of 299.75 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylpropanamide is sourced from PubChem (CID 104665459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).