3-(2-methylpropoxy)-N-(2-propyltetrazol-5-yl)benzamide

C15H21N5O2 — CID 1286190

IUPAC3-(2-methylpropoxy)-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2cccc(OCC(C)C)c2)n1
InChIInChI=1S/C15H21N5O2/c1-4-8-20-18-15(17-19-20)16-14(21)12-6-5-7-13(9-12)22-10-11(2)3/h5-7,9,11H,4,8,10H2,1-3H3,(H,16,18,21)
InChIKeyUDZZLZQENQUHJY-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.37
Rot. Bonds7

About 3-(2-methylpropoxy)-N-(2-propyltetrazol-5-yl)benzamide

3-(2-methylpropoxy)-N-(2-propyltetrazol-5-yl)benzamide (PubChem CID 1286190) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-(2-propyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-(2-propyltetrazol-5-yl)benzamide
PubChem CID1286190
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name3-(2-methylpropoxy)-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2cccc(OCC(C)C)c2)n1
InChIInChI=1S/C15H21N5O2/c1-4-8-20-18-15(17-19-20)16-14(21)12-6-5-7-13(9-12)22-10-11(2)3/h5-7,9,11H,4,8,10H2,1-3H3,(H,16,18,21)
InChIKeyUDZZLZQENQUHJY-UHFFFAOYSA-N
XLogP2.37
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Bas 07005712
CID 656143
N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide
CID 925659
3-ethoxy-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 893318
4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
CID 900454
2-methoxy-N-[(2-propyl-2H-tetrazol-5-yl)carbamothioyl]benzamide
CID 936801
3-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 4055929
3-Propoxy-N-(2-propyl-2H-tetrazol-5-yl)-benzamide
CID 649277
4-ethoxy-N-(2-ethyl-2H-tetrazol-5-yl)benzamide
CID 654362
2-ethoxy-N-(1H-tetrazol-5-yl)benzamide
CID 896527
N-(2-ethyl-2H-tetrazol-5-yl)-3-(2-oxo-2H-chromen-3-yl)benzamide
CID 1091686
3,5-dimethoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 931341
3-(allyloxy)-N-4H-1,2,4-triazol-3-ylbenzamide
CID 2995099

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-(2-propyltetrazol-5-yl)benzamide?
The IUPAC name of 3-(2-methylpropoxy)-N-(2-propyltetrazol-5-yl)benzamide (CID 1286190) is 3-(2-methylpropoxy)-N-(2-propyltetrazol-5-yl)benzamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-(2-propyltetrazol-5-yl)benzamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-(2-propyltetrazol-5-yl)benzamide is CCCn1nnc(NC(=O)c2cccc(OCC(C)C)c2)n1.
What is the InChIKey of 3-(2-methylpropoxy)-N-(2-propyltetrazol-5-yl)benzamide?
The InChIKey is UDZZLZQENQUHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-4-8-20-18-15(17-19-20)16-14(21)12-6-5-7-13(9-12)22-10-11(2)3/h5-7,9,11H,4,8,10H2,1-3H3,(H,16,18,21).
What are the key properties of 3-(2-methylpropoxy)-N-(2-propyltetrazol-5-yl)benzamide?
3-(2-methylpropoxy)-N-(2-propyltetrazol-5-yl)benzamide has a molecular weight of 303.37 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-(2-propyltetrazol-5-yl)benzamide is sourced from PubChem (CID 1286190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).