N-[1-(4-cyanophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide

C25H23N3O4 — CID 55583010

IUPACN-[1-(4-cyanophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)NC(C)c3ccc(C#N)cc3)cc2)c1
InChIInChI=1S/C25H23N3O4/c1-17(19-8-6-18(15-26)7-9-19)27-25(30)20-10-12-22(13-11-20)32-16-24(29)28-21-4-3-5-23(14-21)31-2/h3-14,17H,16H2,1-2H3,(H,27,30)(H,28,29)
InChIKeySDRCQKFSAUNMAE-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.08
Rot. Bonds8

About N-[1-(4-cyanophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide

N-[1-(4-cyanophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide (PubChem CID 55583010) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
PubChem CID55583010
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC NameN-[1-(4-cyanophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)NC(C)c3ccc(C#N)cc3)cc2)c1
InChIInChI=1S/C25H23N3O4/c1-17(19-8-6-18(15-26)7-9-19)27-25(30)20-10-12-22(13-11-20)32-16-24(29)28-21-4-3-5-23(14-21)31-2/h3-14,17H,16H2,1-2H3,(H,27,30)(H,28,29)
InChIKeySDRCQKFSAUNMAE-UHFFFAOYSA-N
XLogP4.08
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
CID 41102959
3-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877736
N-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 798498
N-[1-(1-adamantyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 5234660
2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 55343241
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methoxybenzamide
CID 33300897
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
N-(2-amino-1-cyclopropylethyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide;hydrochloride
CID 119616067
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55589061
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-(2-phenoxyethyl)benzamide
CID 27758187
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713816

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-[1-(4-cyanophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide (CID 55583010) is N-[1-(4-cyanophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-[1-(4-cyanophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide is COc1cccc(NC(=O)COc2ccc(C(=O)NC(C)c3ccc(C#N)cc3)cc2)c1.
What is the InChIKey of N-[1-(4-cyanophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide?
The InChIKey is SDRCQKFSAUNMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-17(19-8-6-18(15-26)7-9-19)27-25(30)20-10-12-22(13-11-20)32-16-24(29)28-21-4-3-5-23(14-21)31-2/h3-14,17H,16H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of N-[1-(4-cyanophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide?
N-[1-(4-cyanophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide has a molecular weight of 429.48 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 55583010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).