3-(2-methylpropoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide

C25H26N2O4 — CID 17231448

IUPAC3-(2-methylpropoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2cccc(NC(=O)COc3ccccc3)c2)c1
InChIInChI=1S/C25H26N2O4/c1-18(2)16-30-23-13-6-8-19(14-23)25(29)27-21-10-7-9-20(15-21)26-24(28)17-31-22-11-4-3-5-12-22/h3-15,18H,16-17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyBUJRKKYGSDMKIL-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.99
Rot. Bonds9

About 3-(2-methylpropoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide

3-(2-methylpropoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide (PubChem CID 17231448) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
PubChem CID17231448
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name3-(2-methylpropoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2cccc(NC(=O)COc3ccccc3)c2)c1
InChIInChI=1S/C25H26N2O4/c1-18(2)16-30-23-13-6-8-19(14-23)25(29)27-21-10-7-9-20(15-21)26-24(28)17-31-22-11-4-3-5-12-22/h3-15,18H,16-17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyBUJRKKYGSDMKIL-UHFFFAOYSA-N
XLogP4.99
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614
4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123566
3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17140377
3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079530
N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469
3-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877736
3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17140363
2-(2-methoxyphenoxy)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 17079559
N-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142503
N-[3-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 1316241
3-[[3-(2-methylpropoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167969

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide?
The IUPAC name of 3-(2-methylpropoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide (CID 17231448) is 3-(2-methylpropoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide is CC(C)COc1cccc(C(=O)Nc2cccc(NC(=O)COc3ccccc3)c2)c1.
What is the InChIKey of 3-(2-methylpropoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide?
The InChIKey is BUJRKKYGSDMKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-18(2)16-30-23-13-6-8-19(14-23)25(29)27-21-10-7-9-20(15-21)26-24(28)17-31-22-11-4-3-5-12-22/h3-15,18H,16-17H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 3-(2-methylpropoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide?
3-(2-methylpropoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide has a molecular weight of 418.49 g/mol, XLogP of 4.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 17231448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).