N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)benzamide

C25H28N2O3 — CID 46598269

IUPACN-[(2,4-dimethylphenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(C)cc2C)ccc1OCc1cccnc1
InChIInChI=1S/C25H28N2O3/c1-5-29-24-14-21(10-11-23(24)30-17-20-7-6-12-26-15-20)25(28)27(4)16-22-9-8-18(2)13-19(22)3/h6-15H,5,16-17H2,1-4H3
InChIKeyJNZNCBOVKKFOGF-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.95
Rot. Bonds8

About N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)benzamide

N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 46598269) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID46598269
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(C)cc2C)ccc1OCc1cccnc1
InChIInChI=1S/C25H28N2O3/c1-5-29-24-14-21(10-11-23(24)30-17-20-7-6-12-26-15-20)25(28)27(4)16-22-9-8-18(2)13-19(22)3/h6-15H,5,16-17H2,1-4H3
InChIKeyJNZNCBOVKKFOGF-UHFFFAOYSA-N
XLogP4.95
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)-N-(3,3,3-trifluoropropyl)benzamide
CID 86833584
3-ethoxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide
CID 47919453
ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682643
N-benzyl-3-ethoxy-N-propan-2-yl-4-(pyridin-3-ylmethoxy)benzamide
CID 52663723
2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 120517164
3-ethoxy-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide
CID 126798729
3-ethoxy-N-ethyl-N-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46588810
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 46671493
4-[(4-bromophenyl)methoxy]-3-methoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 78886268
N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-4-ylmethoxy)benzamide
CID 55557724

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)benzamide (CID 46598269) is N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)benzamide is CCOc1cc(C(=O)N(C)Cc2ccc(C)cc2C)ccc1OCc1cccnc1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is JNZNCBOVKKFOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-5-29-24-14-21(10-11-23(24)30-17-20-7-6-12-26-15-20)25(28)27(4)16-22-9-8-18(2)13-19(22)3/h6-15H,5,16-17H2,1-4H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)benzamide?
N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 404.51 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 46598269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).