2-(4-bromophenoxy)-N-(2-butyltetrazol-5-yl)-2-methylpropanamide

C15H20BrN5O2 — CID 30309531

IUPAC2-(4-bromophenoxy)-N-(2-butyltetrazol-5-yl)-2-methylpropanamide
SMILESCCCCn1nnc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)n1
InChIInChI=1S/C15H20BrN5O2/c1-4-5-10-21-19-14(18-20-21)17-13(22)15(2,3)23-12-8-6-11(16)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,17,19,22)
InChIKeyMNJFMJRKFXAUNB-UHFFFAOYSA-N
MW382.26 g/mol
LogP3.03
Rot. Bonds7

About 2-(4-bromophenoxy)-N-(2-butyltetrazol-5-yl)-2-methylpropanamide

2-(4-bromophenoxy)-N-(2-butyltetrazol-5-yl)-2-methylpropanamide (PubChem CID 30309531) has the molecular formula C15H20BrN5O2 and a molecular weight of 382.26 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(2-butyltetrazol-5-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(2-butyltetrazol-5-yl)-2-methylpropanamide
PubChem CID30309531
Molecular FormulaC15H20BrN5O2
Molecular Weight382.26 g/mol
Exact Mass381.08
IUPAC Name2-(4-bromophenoxy)-N-(2-butyltetrazol-5-yl)-2-methylpropanamide
SMILESCCCCn1nnc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)n1
InChIInChI=1S/C15H20BrN5O2/c1-4-5-10-21-19-14(18-20-21)17-13(22)15(2,3)23-12-8-6-11(16)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,17,19,22)
InChIKeyMNJFMJRKFXAUNB-UHFFFAOYSA-N
XLogP3.03
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(2-butyltetrazol-5-yl)-2-methylpropanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(2-butyltetrazol-5-yl)-2-methylpropanamide (CID 30309531) is 2-(4-bromophenoxy)-N-(2-butyltetrazol-5-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(2-butyltetrazol-5-yl)-2-methylpropanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(2-butyltetrazol-5-yl)-2-methylpropanamide is CCCCn1nnc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(2-butyltetrazol-5-yl)-2-methylpropanamide?
The InChIKey is MNJFMJRKFXAUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN5O2/c1-4-5-10-21-19-14(18-20-21)17-13(22)15(2,3)23-12-8-6-11(16)7-9-12/h6-9H,4-5,10H2,1-3H3,(H,17,19,22).
What are the key properties of 2-(4-bromophenoxy)-N-(2-butyltetrazol-5-yl)-2-methylpropanamide?
2-(4-bromophenoxy)-N-(2-butyltetrazol-5-yl)-2-methylpropanamide has a molecular weight of 382.26 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(2-butyltetrazol-5-yl)-2-methylpropanamide is sourced from PubChem (CID 30309531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).