2-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide

C18H21ClN2O2 — CID 110767251

IUPAC2-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCCN(CCc1ccncc1)C(=O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C18H21ClN2O2/c1-3-21(11-8-14-6-9-20-10-7-14)18(22)13-15-12-16(19)4-5-17(15)23-2/h4-7,9-10,12H,3,8,11,13H2,1-2H3
InChIKeyDJPMFBYJDFMHSC-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.38
Rot. Bonds7

About 2-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide

2-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 110767251) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID110767251
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCCN(CCc1ccncc1)C(=O)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C18H21ClN2O2/c1-3-21(11-8-14-6-9-20-10-7-14)18(22)13-15-12-16(19)4-5-17(15)23-2/h4-7,9-10,12H,3,8,11,13H2,1-2H3
InChIKeyDJPMFBYJDFMHSC-UHFFFAOYSA-N
XLogP3.38
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.38
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
2-[[2-(5-chloro-2-methoxyphenyl)acetyl]-propylamino]acetic acid
CID 61007679
5-chloro-N-ethyl-4-methoxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110762101
2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110767676
3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 22692037
2-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110768677
2-[(5-chloro-2-methoxyphenyl)methylamino]-N,N-diethylacetamide
CID 112687072
2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone
CID 114877516
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
N-ethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 110755648
2-(5-chloro-2-methoxyphenyl)-N-ethoxyacetamide
CID 60700587
(5-chloro-2-methoxyphenyl)-(pyridin-4-ylmethyl)carbamic acid
CID 66997017

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide (CID 110767251) is 2-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide is CCN(CCc1ccncc1)C(=O)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is DJPMFBYJDFMHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-3-21(11-8-14-6-9-20-10-7-14)18(22)13-15-12-16(19)4-5-17(15)23-2/h4-7,9-10,12H,3,8,11,13H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide?
2-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 332.83 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 110767251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).