3-ethoxy-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-(pyridin-4-ylmethoxy)benzamide

C26H29N3O4 — CID 46597652

IUPAC3-ethoxy-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)N(C)CC(=O)Nc2ccccc2CC)ccc1OCc1ccncc1
InChIInChI=1S/C26H29N3O4/c1-4-20-8-6-7-9-22(20)28-25(30)17-29(3)26(31)21-10-11-23(24(16-21)32-5-2)33-18-19-12-14-27-15-13-19/h6-16H,4-5,17-18H2,1-3H3,(H,28,30)
InChIKeyDFSSJMHSPBABKQ-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.33
Rot. Bonds10

About 3-ethoxy-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-(pyridin-4-ylmethoxy)benzamide

3-ethoxy-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-(pyridin-4-ylmethoxy)benzamide (PubChem CID 46597652) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-(pyridin-4-ylmethoxy)benzamide
PubChem CID46597652
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name3-ethoxy-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)N(C)CC(=O)Nc2ccccc2CC)ccc1OCc1ccncc1
InChIInChI=1S/C26H29N3O4/c1-4-20-8-6-7-9-22(20)28-25(30)17-29(3)26(31)21-10-11-23(24(16-21)32-5-2)33-18-19-12-14-27-15-13-19/h6-16H,4-5,17-18H2,1-3H3,(H,28,30)
InChIKeyDFSSJMHSPBABKQ-UHFFFAOYSA-N
XLogP4.33
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-methylamino]propanoate
CID 55882942
N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-4-ylmethoxy)benzamide
CID 55557724
N-(2-ethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948933
3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide
CID 55576010
3,4-diethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylbenzamide
CID 55835265
methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-2-hydroxybenzoate
CID 56576167
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3,4-dimethoxybenzoate
CID 2592276
N'-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 5152754
N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46535133
3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
CID 9378681
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-ethoxy-N-methyl-4-propoxybenzamide
CID 26619678
N-(2,4-dimethylphenyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 25337421

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-(pyridin-4-ylmethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-(pyridin-4-ylmethoxy)benzamide (CID 46597652) is 3-ethoxy-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-(pyridin-4-ylmethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-(pyridin-4-ylmethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-(pyridin-4-ylmethoxy)benzamide is CCOc1cc(C(=O)N(C)CC(=O)Nc2ccccc2CC)ccc1OCc1ccncc1.
What is the InChIKey of 3-ethoxy-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-(pyridin-4-ylmethoxy)benzamide?
The InChIKey is DFSSJMHSPBABKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-4-20-8-6-7-9-22(20)28-25(30)17-29(3)26(31)21-10-11-23(24(16-21)32-5-2)33-18-19-12-14-27-15-13-19/h6-16H,4-5,17-18H2,1-3H3,(H,28,30).
What are the key properties of 3-ethoxy-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-(pyridin-4-ylmethoxy)benzamide?
3-ethoxy-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-(pyridin-4-ylmethoxy)benzamide has a molecular weight of 447.54 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 46597652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).