2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-(3-methylbutyl)acetamide

C15H20ClNO4 — CID 104665319

IUPAC2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-(3-methylbutyl)acetamide
SMILESCOc1cc(Cl)cc(C=O)c1OCC(=O)NCCC(C)C
InChIInChI=1S/C15H20ClNO4/c1-10(2)4-5-17-14(19)9-21-15-11(8-18)6-12(16)7-13(15)20-3/h6-8,10H,4-5,9H2,1-3H3,(H,17,19)
InChIKeyWIVDZGXCYFOCBC-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.70
Rot. Bonds8

About 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-(3-methylbutyl)acetamide

2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-(3-methylbutyl)acetamide (PubChem CID 104665319) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-(3-methylbutyl)acetamide
PubChem CID104665319
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-(3-methylbutyl)acetamide
SMILESCOc1cc(Cl)cc(C=O)c1OCC(=O)NCCC(C)C
InChIInChI=1S/C15H20ClNO4/c1-10(2)4-5-17-14(19)9-21-15-11(8-18)6-12(16)7-13(15)20-3/h6-8,10H,4-5,9H2,1-3H3,(H,17,19)
InChIKeyWIVDZGXCYFOCBC-UHFFFAOYSA-N
XLogP2.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.70
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-(hydroxymethyl)-6-methoxyphenoxy]-N-(3-methylbutyl)acetamide
CID 104666002
2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-propylpropanamide
CID 104665459
2-(4-formyl-2,6-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60627472
5-chloro-3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 104665527
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486646
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 43589731
3-(4-chloro-2-formyl-6-methoxyphenoxy)-2,2-dimethylpropanoic acid
CID 113438784
2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(3-methylbutyl)acetamide
CID 61486644
2-(2-amino-4-chlorophenoxy)-N-(3-methylbutyl)acetamide
CID 54957202
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-cyanoethyl)acetamide
CID 28897847
3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-(3-methylbutyl)acetamide (CID 104665319) is 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-(3-methylbutyl)acetamide is COc1cc(Cl)cc(C=O)c1OCC(=O)NCCC(C)C.
What is the InChIKey of 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-(3-methylbutyl)acetamide?
The InChIKey is WIVDZGXCYFOCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-10(2)4-5-17-14(19)9-21-15-11(8-18)6-12(16)7-13(15)20-3/h6-8,10H,4-5,9H2,1-3H3,(H,17,19).
What are the key properties of 2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-(3-methylbutyl)acetamide?
2-(4-chloro-2-formyl-6-methoxyphenoxy)-N-(3-methylbutyl)acetamide has a molecular weight of 313.78 g/mol, XLogP of 2.70, 8 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-(3-methylbutyl)acetamide is sourced from PubChem (CID 104665319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).