3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide

C25H27NO3 — CID 17140363

IUPAC3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2ccc(OCCc3ccccc3)cc2)c1
InChIInChI=1S/C25H27NO3/c1-19(2)18-29-24-10-6-9-21(17-24)25(27)26-22-11-13-23(14-12-22)28-16-15-20-7-4-3-5-8-20/h3-14,17,19H,15-16,18H2,1-2H3,(H,26,27)
InChIKeyCVJSZTZPMXSEAE-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.60
Rot. Bonds9

About 3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide

3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide (PubChem CID 17140363) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
PubChem CID17140363
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2ccc(OCCc3ccccc3)cc2)c1
InChIInChI=1S/C25H27NO3/c1-19(2)18-29-24-10-6-9-21(17-24)25(27)26-22-11-13-23(14-12-22)28-16-15-20-7-4-3-5-8-20/h3-14,17,19H,15-16,18H2,1-2H3,(H,26,27)
InChIKeyCVJSZTZPMXSEAE-UHFFFAOYSA-N
XLogP5.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469
N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide
CID 17134436
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 17197538
N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134750
3-(2-methylpropoxy)-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17140677
N-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide
CID 17202577
3-bromo-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 54790774
4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123566
N-naphthalen-2-yl-3-(2-phenylethoxy)benzamide
CID 17232036
3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 4981650

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide?
The IUPAC name of 3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide (CID 17140363) is 3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide is CC(C)COc1cccc(C(=O)Nc2ccc(OCCc3ccccc3)cc2)c1.
What is the InChIKey of 3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide?
The InChIKey is CVJSZTZPMXSEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-19(2)18-29-24-10-6-9-21(17-24)25(27)26-22-11-13-23(14-12-22)28-16-15-20-7-4-3-5-8-20/h3-14,17,19H,15-16,18H2,1-2H3,(H,26,27).
What are the key properties of 3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide?
3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide has a molecular weight of 389.50 g/mol, XLogP of 5.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide is sourced from PubChem (CID 17140363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).