N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-ethylphenoxy)acetamide

C19H22ClNO4 — CID 54785354

IUPACN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-ethylphenoxy)acetamide
SMILESCCc1cccc(OCC(=O)NCc2cc(OC)c(OC)cc2Cl)c1
InChIInChI=1S/C19H22ClNO4/c1-4-13-6-5-7-15(8-13)25-12-19(22)21-11-14-9-17(23-2)18(24-3)10-16(14)20/h5-10H,4,11-12H2,1-3H3,(H,21,22)
InChIKeyQISRHOZOZGTMBY-UHFFFAOYSA-N
MW363.84 g/mol
LogP3.61
Rot. Bonds8

About N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-ethylphenoxy)acetamide

N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-ethylphenoxy)acetamide (PubChem CID 54785354) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-ethylphenoxy)acetamide
PubChem CID54785354
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC NameN-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-ethylphenoxy)acetamide
SMILESCCc1cccc(OCC(=O)NCc2cc(OC)c(OC)cc2Cl)c1
InChIInChI=1S/C19H22ClNO4/c1-4-13-6-5-7-15(8-13)25-12-19(22)21-11-14-9-17(23-2)18(24-3)10-16(14)20/h5-10H,4,11-12H2,1-3H3,(H,21,22)
InChIKeyQISRHOZOZGTMBY-UHFFFAOYSA-N
XLogP3.61
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[3-(2-methylprop-2-enoxy)phenyl]methanamine
CID 54855852
2-(4-ethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495684
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 54785534
2-(3-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2707667
N-(4,5-dimethoxy-2-methylphenyl)-2-(3-ethylphenoxy)acetamide
CID 7751005
methyl 3-[[2-(3-ethylphenoxy)acetyl]amino]propanoate
CID 60637022
2-(3-ethylphenoxy)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385571
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[3-(2-methoxyethoxy)phenyl]methanamine
CID 54855853
2-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 18116287
N-benzyl-2-(4-chloro-3-ethylphenoxy)acetamide
CID 7642627
2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60623442
3-[[[2-(3-ethylphenoxy)acetyl]amino]methyl]-N-methylbenzamide
CID 33203040

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-ethylphenoxy)acetamide?
The IUPAC name of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-ethylphenoxy)acetamide (CID 54785354) is N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-ethylphenoxy)acetamide.
What is the SMILES notation for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-ethylphenoxy)acetamide?
The canonical SMILES for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-ethylphenoxy)acetamide is CCc1cccc(OCC(=O)NCc2cc(OC)c(OC)cc2Cl)c1.
What is the InChIKey of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-ethylphenoxy)acetamide?
The InChIKey is QISRHOZOZGTMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4/c1-4-13-6-5-7-15(8-13)25-12-19(22)21-11-14-9-17(23-2)18(24-3)10-16(14)20/h5-10H,4,11-12H2,1-3H3,(H,21,22).
What are the key properties of N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-ethylphenoxy)acetamide?
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-ethylphenoxy)acetamide has a molecular weight of 363.84 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-ethylphenoxy)acetamide is sourced from PubChem (CID 54785354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).