3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide

C22H29NO3 — CID 17149831

IUPAC3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2cccc(OCCC(C)C)c2)c1
InChIInChI=1S/C22H29NO3/c1-5-17(4)26-21-11-6-8-18(14-21)22(24)23-19-9-7-10-20(15-19)25-13-12-16(2)3/h6-11,14-17H,5,12-13H2,1-4H3,(H,23,24)
InChIKeyZMLRCUXBDLTDFY-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.54
Rot. Bonds9

About 3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide

3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide (PubChem CID 17149831) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide
PubChem CID17149831
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2cccc(OCCC(C)C)c2)c1
InChIInChI=1S/C22H29NO3/c1-5-17(4)26-21-11-6-8-18(14-21)22(24)23-19-9-7-10-20(15-19)25-13-12-16(2)3/h6-11,14-17H,5,12-13H2,1-4H3,(H,23,24)
InChIKeyZMLRCUXBDLTDFY-UHFFFAOYSA-N
XLogP5.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
CID 17096779
3-(2-ethoxyethoxy)-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17139676
3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide
CID 4981633
N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide
CID 17134436
N-(3-butan-2-yloxyphenyl)-3-(2-methylprop-2-enoxy)benzamide
CID 17161663
N-[(4-butan-2-yloxyphenyl)carbamothioyl]-3-(3-methylbutoxy)benzamide
CID 17160781
3-butan-2-yloxy-N-(3-methylphenyl)benzamide
CID 17149681
4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17097294
3-(3-methylbutoxy)-N-(4-propoxyphenyl)benzamide
CID 4981769
3-(3-methylbutoxy)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154914
3-butan-2-yloxy-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17170066
3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide
CID 40976698

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide?
The IUPAC name of 3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide (CID 17149831) is 3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide.
What is the SMILES notation for 3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide?
The canonical SMILES for 3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide is CCC(C)Oc1cccc(C(=O)Nc2cccc(OCCC(C)C)c2)c1.
What is the InChIKey of 3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide?
The InChIKey is ZMLRCUXBDLTDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-5-17(4)26-21-11-6-8-18(14-21)22(24)23-19-9-7-10-20(15-19)25-13-12-16(2)3/h6-11,14-17H,5,12-13H2,1-4H3,(H,23,24).
What are the key properties of 3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide?
3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide has a molecular weight of 355.48 g/mol, XLogP of 5.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide is sourced from PubChem (CID 17149831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).