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

C21H27NO3 — CID 17096779

IUPAC3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
SMILESCCCOc1cccc(NC(=O)c2cccc(OCCC(C)C)c2)c1
InChIInChI=1S/C21H27NO3/c1-4-12-24-20-10-6-8-18(15-20)22-21(23)17-7-5-9-19(14-17)25-13-11-16(2)3/h5-10,14-16H,4,11-13H2,1-3H3,(H,22,23)
InChIKeyHJIMSSNIEJGTIV-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.15
Rot. Bonds9

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

3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide (PubChem CID 17096779) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
PubChem CID17096779
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
SMILESCCCOc1cccc(NC(=O)c2cccc(OCCC(C)C)c2)c1
InChIInChI=1S/C21H27NO3/c1-4-12-24-20-10-6-8-18(15-20)22-21(23)17-7-5-9-19(14-17)25-13-11-16(2)3/h5-10,14-16H,4,11-13H2,1-3H3,(H,22,23)
InChIKeyHJIMSSNIEJGTIV-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

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Related Compounds

3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide
CID 4981769
3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17140377
3-(2-ethoxyethoxy)-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17139676
3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17149831
3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide
CID 4981633
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
N-propan-2-yl-3-[(3-propoxybenzoyl)amino]benzamide
CID 17197490
N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide
CID 17134436
4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17097294
N-(3,5-dimethylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981665
N-(4-acetylphenyl)-3-(3-methylbutoxy)benzamide
CID 4981645
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide?
The IUPAC name of 3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide (CID 17096779) is 3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide.
What is the SMILES notation for 3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide?
The canonical SMILES for 3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide is CCCOc1cccc(NC(=O)c2cccc(OCCC(C)C)c2)c1.
What is the InChIKey of 3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide?
The InChIKey is HJIMSSNIEJGTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-4-12-24-20-10-6-8-18(15-20)22-21(23)17-7-5-9-19(14-17)25-13-11-16(2)3/h5-10,14-16H,4,11-13H2,1-3H3,(H,22,23).
What are the key properties of 3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide?
3-(3-methylbutoxy)-N-(3-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-(3-propoxyphenyl)benzamide is sourced from PubChem (CID 17096779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).