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

C21H27NO3 — CID 17079614

IUPAC4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C21H27NO3/c1-15(2)13-24-19-10-8-17(9-11-19)21(23)22-18-6-5-7-20(12-18)25-14-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,22,23)
InChIKeyBFBYKASANZBQFB-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.01
Rot. Bonds8

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

4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide (PubChem CID 17079614) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
PubChem CID17079614
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C21H27NO3/c1-15(2)13-24-19-10-8-17(9-11-19)21(23)22-18-6-5-7-20(12-18)25-14-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,22,23)
InChIKeyBFBYKASANZBQFB-UHFFFAOYSA-N
XLogP5.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123566
4-(2-methylpropoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086729
4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079565
N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide
CID 17079611
N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 17094813
3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079530
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17140377
N,N-diethyl-3-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17194593
4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17097294
3-iodo-4-methoxy-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079543

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide?
The IUPAC name of 4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide (CID 17079614) is 4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide.
What is the SMILES notation for 4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide?
The canonical SMILES for 4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide is CC(C)COc1ccc(C(=O)Nc2cccc(OCC(C)C)c2)cc1.
What is the InChIKey of 4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide?
The InChIKey is BFBYKASANZBQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-15(2)13-24-19-10-8-17(9-11-19)21(23)22-18-6-5-7-20(12-18)25-14-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,22,23).
What are the key properties of 4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide?
4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide has a molecular weight of 341.45 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide is sourced from PubChem (CID 17079614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).