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

C21H27NO3 — CID 4981769

IUPAC3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2cccc(OCCC(C)C)c2)cc1
InChIInChI=1S/C21H27NO3/c1-4-13-24-19-10-8-18(9-11-19)22-21(23)17-6-5-7-20(15-17)25-14-12-16(2)3/h5-11,15-16H,4,12-14H2,1-3H3,(H,22,23)
InChIKeyHJAVVUMCAPPZSD-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.15
Rot. Bonds9

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

3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide (PubChem CID 4981769) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide
PubChem CID4981769
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2cccc(OCCC(C)C)c2)cc1
InChIInChI=1S/C21H27NO3/c1-4-13-24-19-10-8-18(9-11-19)22-21(23)17-6-5-7-20(15-17)25-14-12-16(2)3/h5-11,15-16H,4,12-14H2,1-3H3,(H,22,23)
InChIKeyHJAVVUMCAPPZSD-UHFFFAOYSA-N
XLogP5.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
CID 17096779
N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-3-propoxybenzamide
CID 4960395
3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 4981650
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981645
3-(3-methylbutoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218835
3-methyl-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949751
3-chloro-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949868
N-[4-(propan-2-ylcarbamoyl)phenyl]-3-propoxybenzamide
CID 26157621
N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981665
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide?
The IUPAC name of 3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide (CID 4981769) is 3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide.
What is the SMILES notation for 3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide?
The canonical SMILES for 3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide is CCCOc1ccc(NC(=O)c2cccc(OCCC(C)C)c2)cc1.
What is the InChIKey of 3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide?
The InChIKey is HJAVVUMCAPPZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-4-13-24-19-10-8-18(9-11-19)22-21(23)17-6-5-7-20(15-17)25-14-12-16(2)3/h5-11,15-16H,4,12-14H2,1-3H3,(H,22,23).
What are the key properties of 3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide?
3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide has a molecular weight of 341.45 g/mol, XLogP of 5.15, 9 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-propoxyphenyl)benzamide is sourced from PubChem (CID 4981769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).