2-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

C18H21ClN2O2 — CID 110768677

IUPAC2-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCOc1cc(C)c(Cl)cc1CC(=O)N(C)CCc1ccncc1
InChIInChI=1S/C18H21ClN2O2/c1-13-10-17(23-3)15(11-16(13)19)12-18(22)21(2)9-6-14-4-7-20-8-5-14/h4-5,7-8,10-11H,6,9,12H2,1-3H3
InChIKeyIJUTWLZOJNNWDA-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.30
Rot. Bonds6

About 2-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

2-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 110768677) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID110768677
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCOc1cc(C)c(Cl)cc1CC(=O)N(C)CCc1ccncc1
InChIInChI=1S/C18H21ClN2O2/c1-13-10-17(23-3)15(11-16(13)19)12-18(22)21(2)9-6-14-4-7-20-8-5-14/h4-5,7-8,10-11H,6,9,12H2,1-3H3
InChIKeyIJUTWLZOJNNWDA-UHFFFAOYSA-N
XLogP3.30
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-4-methoxy-2-methylphenyl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110768725
N-methyl-N-(2-pyridin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602562
2-(2,4-dimethoxy-3-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110769825
4-methoxy-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110761596
2-(3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001550
2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110755605
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113128397
2-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110767251
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
5-chloro-2-methoxy-N,3-dimethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110762978
N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 110788799
5-chloro-N-ethyl-4-methoxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110762101

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (CID 110768677) is 2-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is COc1cc(C)c(Cl)cc1CC(=O)N(C)CCc1ccncc1.
What is the InChIKey of 2-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is IJUTWLZOJNNWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-13-10-17(23-3)15(11-16(13)19)12-18(22)21(2)9-6-14-4-7-20-8-5-14/h4-5,7-8,10-11H,6,9,12H2,1-3H3.
What are the key properties of 2-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
2-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 332.83 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 110768677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).