2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-(4-methoxyphenyl)ethanone

C22H26N2O3 — CID 4751913

IUPAC2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-(4-methoxyphenyl)ethanone
SMILESCCOc1ccc(N(CC(=O)c2ccc(OC)cc2)C2=NCCCC2)cc1
InChIInChI=1S/C22H26N2O3/c1-3-27-20-13-9-18(10-14-20)24(22-6-4-5-15-23-22)16-21(25)17-7-11-19(26-2)12-8-17/h7-14H,3-6,15-16H2,1-2H3
InChIKeyGGWRZIQTODAPTE-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.37
Rot. Bonds7

About 2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-(4-methoxyphenyl)ethanone

2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-(4-methoxyphenyl)ethanone (PubChem CID 4751913) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-(4-methoxyphenyl)ethanone
PubChem CID4751913
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-(4-methoxyphenyl)ethanone
SMILESCCOc1ccc(N(CC(=O)c2ccc(OC)cc2)C2=NCCCC2)cc1
InChIInChI=1S/C22H26N2O3/c1-3-27-20-13-9-18(10-14-20)24(22-6-4-5-15-23-22)16-21(25)17-7-11-19(26-2)12-8-17/h7-14H,3-6,15-16H2,1-2H3
InChIKeyGGWRZIQTODAPTE-UHFFFAOYSA-N
XLogP4.37
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-2-[4-ethoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]ethanone
CID 4752515
2-[4-chloro-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(4-methoxyphenyl)ethanone;hydrobromide
CID 45136017
1-[4-(difluoromethoxy)phenyl]-2-[4-methoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]ethanone
CID 4751373
1-(4-methoxyphenyl)-2-[3-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]ethanone
CID 4751857
1-(4-ethoxyphenyl)-2-[N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-3-(trifluoromethyl)anilino]ethanone;hydrobromide
CID 45135947
2-[4-methoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-(3-nitrophenyl)ethanone
CID 4751481
1-(4-ethoxyphenyl)-2-(N-(4-methyl-3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino)ethanone;hydrobromide
CID 45135597
2-[2,4-dimethoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(4-methylphenyl)ethanone
CID 4751477
2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-4-ethylanilino]-1-(4-methoxyphenyl)ethanone;hydrobromide
CID 45135989
1-(2-fluoro-4-methoxyphenyl)-2-[N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]ethanone;hydrobromide
CID 45136122
2-[2,4-dimethoxy-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)anilino]-1-(4-phenylphenyl)ethanone
CID 4751482
1-(4-ethoxyphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanone
CID 154774512

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-(4-methoxyphenyl)ethanone (CID 4751913) is 2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-(4-methoxyphenyl)ethanone is CCOc1ccc(N(CC(=O)c2ccc(OC)cc2)C2=NCCCC2)cc1.
What is the InChIKey of 2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-(4-methoxyphenyl)ethanone?
The InChIKey is GGWRZIQTODAPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-27-20-13-9-18(10-14-20)24(22-6-4-5-15-23-22)16-21(25)17-7-11-19(26-2)12-8-17/h7-14H,3-6,15-16H2,1-2H3.
What are the key properties of 2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-(4-methoxyphenyl)ethanone?
2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-(4-methoxyphenyl)ethanone has a molecular weight of 366.46 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 4751913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).