2-methoxy-N-[1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide

C22H22N2O3 — CID 74430495

IUPAC2-methoxy-N-[1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide
SMILESCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2OC)c1
InChIInChI=1S/C22H22N2O3/c1-15(17-5-4-6-19(13-17)26-2)24-22(25)20-8-7-18(14-21(20)27-3)16-9-11-23-12-10-16/h4-15H,1-3H3,(H,24,25)
InChIKeyIUKMFGTYYWOIEF-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.26
Rot. Bonds6

About 2-methoxy-N-[1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide

2-methoxy-N-[1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide (PubChem CID 74430495) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-methoxy-N-[1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide
PubChem CID74430495
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name2-methoxy-N-[1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide
SMILESCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2OC)c1
InChIInChI=1S/C22H22N2O3/c1-15(17-5-4-6-19(13-17)26-2)24-22(25)20-8-7-18(14-21(20)27-3)16-9-11-23-12-10-16/h4-15H,1-3H3,(H,24,25)
InChIKeyIUKMFGTYYWOIEF-UHFFFAOYSA-N
XLogP4.26
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide
CID 68513343
[3-methoxy-4-[1-(3-methoxyphenyl)ethylcarbamoyl]phenyl]boronic acid
CID 123598238
4-[5-(1-hydroxyethyl)-1H-pyrazol-4-yl]-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 123193539
3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 115645750
4-(5-cyano-1H-pyrazol-4-yl)-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 123934488
2-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide
CID 68512406
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 842039
4-amino-2-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 107207961
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 95053218
N-[1-(3-methoxyphenyl)ethyl]-2-phenylbenzamide
CID 154835213
4-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68511029

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide?
The IUPAC name of 2-methoxy-N-[1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide (CID 74430495) is 2-methoxy-N-[1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-methoxy-N-[1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide?
The canonical SMILES for 2-methoxy-N-[1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide is COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2OC)c1.
What is the InChIKey of 2-methoxy-N-[1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide?
The InChIKey is IUKMFGTYYWOIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-15(17-5-4-6-19(13-17)26-2)24-22(25)20-8-7-18(14-21(20)27-3)16-9-11-23-12-10-16/h4-15H,1-3H3,(H,24,25).
What are the key properties of 2-methoxy-N-[1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide?
2-methoxy-N-[1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide has a molecular weight of 362.43 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 74430495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).