3-methyl-N,N-bis(2-methylpropyl)-5-[2-[2-(tetrazol-1-yl)phenyl]ethoxy]benzamide

C25H33N5O2 — CID 53320283

IUPAC3-methyl-N,N-bis(2-methylpropyl)-5-[2-[2-(tetrazol-1-yl)phenyl]ethoxy]benzamide
SMILESCc1cc(OCCc2ccccc2-n2cnnn2)cc(C(=O)N(CC(C)C)CC(C)C)c1
InChIInChI=1S/C25H33N5O2/c1-18(2)15-29(16-19(3)4)25(31)22-12-20(5)13-23(14-22)32-11-10-21-8-6-7-9-24(21)30-17-26-27-28-30/h6-9,12-14,17-19H,10-11,15-16H2,1-5H3
InChIKeyRSLTUGKWBWSUNX-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.35
Rot. Bonds10

About 3-methyl-N,N-bis(2-methylpropyl)-5-[2-[2-(tetrazol-1-yl)phenyl]ethoxy]benzamide

3-methyl-N,N-bis(2-methylpropyl)-5-[2-[2-(tetrazol-1-yl)phenyl]ethoxy]benzamide (PubChem CID 53320283) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 3-methyl-N,N-bis(2-methylpropyl)-5-[2-[2-(tetrazol-1-yl)phenyl]ethoxy]benzamide.

Molecular Properties

Compound Name3-methyl-N,N-bis(2-methylpropyl)-5-[2-[2-(tetrazol-1-yl)phenyl]ethoxy]benzamide
PubChem CID53320283
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name3-methyl-N,N-bis(2-methylpropyl)-5-[2-[2-(tetrazol-1-yl)phenyl]ethoxy]benzamide
SMILESCc1cc(OCCc2ccccc2-n2cnnn2)cc(C(=O)N(CC(C)C)CC(C)C)c1
InChIInChI=1S/C25H33N5O2/c1-18(2)15-29(16-19(3)4)25(31)22-12-20(5)13-23(14-22)32-11-10-21-8-6-7-9-24(21)30-17-26-27-28-30/h6-9,12-14,17-19H,10-11,15-16H2,1-5H3
InChIKeyRSLTUGKWBWSUNX-UHFFFAOYSA-N
XLogP4.35
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N,N-bis(2-methylpropyl)-5-[2-[2-(tetrazol-1-yl)phenyl]ethoxy]benzamide?
The IUPAC name of 3-methyl-N,N-bis(2-methylpropyl)-5-[2-[2-(tetrazol-1-yl)phenyl]ethoxy]benzamide (CID 53320283) is 3-methyl-N,N-bis(2-methylpropyl)-5-[2-[2-(tetrazol-1-yl)phenyl]ethoxy]benzamide.
What is the SMILES notation for 3-methyl-N,N-bis(2-methylpropyl)-5-[2-[2-(tetrazol-1-yl)phenyl]ethoxy]benzamide?
The canonical SMILES for 3-methyl-N,N-bis(2-methylpropyl)-5-[2-[2-(tetrazol-1-yl)phenyl]ethoxy]benzamide is Cc1cc(OCCc2ccccc2-n2cnnn2)cc(C(=O)N(CC(C)C)CC(C)C)c1.
What is the InChIKey of 3-methyl-N,N-bis(2-methylpropyl)-5-[2-[2-(tetrazol-1-yl)phenyl]ethoxy]benzamide?
The InChIKey is RSLTUGKWBWSUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-18(2)15-29(16-19(3)4)25(31)22-12-20(5)13-23(14-22)32-11-10-21-8-6-7-9-24(21)30-17-26-27-28-30/h6-9,12-14,17-19H,10-11,15-16H2,1-5H3.
What are the key properties of 3-methyl-N,N-bis(2-methylpropyl)-5-[2-[2-(tetrazol-1-yl)phenyl]ethoxy]benzamide?
3-methyl-N,N-bis(2-methylpropyl)-5-[2-[2-(tetrazol-1-yl)phenyl]ethoxy]benzamide has a molecular weight of 435.57 g/mol, XLogP of 4.35, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N,N-bis(2-methylpropyl)-5-[2-[2-(tetrazol-1-yl)phenyl]ethoxy]benzamide is sourced from PubChem (CID 53320283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).