4-[3-(3,5-dimethylphenoxy)propanoylamino]-N-(2-methoxyphenyl)benzamide

C25H26N2O4 — CID 35504895

IUPAC4-[3-(3,5-dimethylphenoxy)propanoylamino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CCOc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C25H26N2O4/c1-17-14-18(2)16-21(15-17)31-13-12-24(28)26-20-10-8-19(9-11-20)25(29)27-22-6-4-5-7-23(22)30-3/h4-11,14-16H,12-13H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyOBIQRQWEBZYBBK-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.97
Rot. Bonds8

About 4-[3-(3,5-dimethylphenoxy)propanoylamino]-N-(2-methoxyphenyl)benzamide

4-[3-(3,5-dimethylphenoxy)propanoylamino]-N-(2-methoxyphenyl)benzamide (PubChem CID 35504895) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 4-[3-(3,5-dimethylphenoxy)propanoylamino]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[3-(3,5-dimethylphenoxy)propanoylamino]-N-(2-methoxyphenyl)benzamide
PubChem CID35504895
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name4-[3-(3,5-dimethylphenoxy)propanoylamino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CCOc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C25H26N2O4/c1-17-14-18(2)16-21(15-17)31-13-12-24(28)26-20-10-8-19(9-11-20)25(29)27-22-6-4-5-7-23(22)30-3/h4-11,14-16H,12-13H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyOBIQRQWEBZYBBK-UHFFFAOYSA-N
XLogP4.97
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-4-[4-(4-methylphenoxy)butanoylamino]benzamide
CID 7998969
N-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 7998968
N-(2-methoxyphenyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 4879742
N-(2-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 7929170
4-[[2-(2-methoxyethoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 43037458
N-(2-methoxyphenyl)-4-[3-(N-methylanilino)propanoylamino]benzamide
CID 52546324
3-(3,5-dimethylphenoxy)-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 46584839
N-[2,5-dimethoxy-4-[3-(3-methylphenoxy)propanoylamino]phenyl]benzamide
CID 2604010
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 7816201
N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide
CID 19173646
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
methyl 2-[4-[3-(3,5-dimethylphenoxy)propanoylamino]phenoxy]acetate
CID 55709060

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dimethylphenoxy)propanoylamino]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[3-(3,5-dimethylphenoxy)propanoylamino]-N-(2-methoxyphenyl)benzamide (CID 35504895) is 4-[3-(3,5-dimethylphenoxy)propanoylamino]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[3-(3,5-dimethylphenoxy)propanoylamino]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[3-(3,5-dimethylphenoxy)propanoylamino]-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)CCOc2cc(C)cc(C)c2)cc1.
What is the InChIKey of 4-[3-(3,5-dimethylphenoxy)propanoylamino]-N-(2-methoxyphenyl)benzamide?
The InChIKey is OBIQRQWEBZYBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-17-14-18(2)16-21(15-17)31-13-12-24(28)26-20-10-8-19(9-11-20)25(29)27-22-6-4-5-7-23(22)30-3/h4-11,14-16H,12-13H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 4-[3-(3,5-dimethylphenoxy)propanoylamino]-N-(2-methoxyphenyl)benzamide?
4-[3-(3,5-dimethylphenoxy)propanoylamino]-N-(2-methoxyphenyl)benzamide has a molecular weight of 418.49 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dimethylphenoxy)propanoylamino]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 35504895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).