3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide

C24H25NO3 — CID 4981650

IUPAC3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
SMILESCC(C)CCOc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C24H25NO3/c1-18(2)15-16-27-23-10-6-7-19(17-23)24(26)25-20-11-13-22(14-12-20)28-21-8-4-3-5-9-21/h3-14,17-18H,15-16H2,1-2H3,(H,25,26)
InChIKeyWMWVRFCCMCOJPK-UHFFFAOYSA-N
MW375.47 g/mol
LogP6.16
Rot. Bonds8

About 3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide

3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide (PubChem CID 4981650) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
PubChem CID4981650
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
SMILESCC(C)CCOc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C24H25NO3/c1-18(2)15-16-27-23-10-6-7-19(17-23)24(26)25-20-11-13-22(14-12-20)28-21-8-4-3-5-9-21/h3-14,17-18H,15-16H2,1-2H3,(H,25,26)
InChIKeyWMWVRFCCMCOJPK-UHFFFAOYSA-N
XLogP6.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
3-(3-methylbutoxy)-N-[(4-phenoxyphenyl)carbamothioyl]benzamide
CID 4981911
3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide
CID 4981769
N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981645
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
3-(2-ethoxyethoxy)-N-(4-phenoxyphenyl)benzamide
CID 17139540
3-bromo-4-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 17339336
3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949751
N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981665
N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide
CID 17134436
3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide
CID 4981633
3-chloro-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949868

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide?
The IUPAC name of 3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide (CID 4981650) is 3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide.
What is the SMILES notation for 3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide?
The canonical SMILES for 3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide is CC(C)CCOc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide?
The InChIKey is WMWVRFCCMCOJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-18(2)15-16-27-23-10-6-7-19(17-23)24(26)25-20-11-13-22(14-12-20)28-21-8-4-3-5-9-21/h3-14,17-18H,15-16H2,1-2H3,(H,25,26).
What are the key properties of 3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide?
3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide has a molecular weight of 375.47 g/mol, XLogP of 6.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide is sourced from PubChem (CID 4981650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).