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

C13H17N5O2 — CID 893318

IUPAC3-ethoxy-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2cccc(OCC)c2)n1
InChIInChI=1S/C13H17N5O2/c1-3-8-18-16-13(15-17-18)14-12(19)10-6-5-7-11(9-10)20-4-2/h5-7,9H,3-4,8H2,1-2H3,(H,14,16,19)
InChIKeyGFZMOTSQDPXJTM-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.73
Rot. Bonds6

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

3-ethoxy-N-(2-propyltetrazol-5-yl)benzamide (PubChem CID 893318) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-ethoxy-N-(2-propyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-propyltetrazol-5-yl)benzamide
PubChem CID893318
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name3-ethoxy-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2cccc(OCC)c2)n1
InChIInChI=1S/C13H17N5O2/c1-3-8-18-16-13(15-17-18)14-12(19)10-6-5-7-11(9-10)20-4-2/h5-7,9H,3-4,8H2,1-2H3,(H,14,16,19)
InChIKeyGFZMOTSQDPXJTM-UHFFFAOYSA-N
XLogP1.73
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.73
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
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
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide
CID 3158217
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-ethoxy-N-(2-propyltetrazol-5-yl)benzamide?
The IUPAC name of 3-ethoxy-N-(2-propyltetrazol-5-yl)benzamide (CID 893318) is 3-ethoxy-N-(2-propyltetrazol-5-yl)benzamide.
What is the SMILES notation for 3-ethoxy-N-(2-propyltetrazol-5-yl)benzamide?
The canonical SMILES for 3-ethoxy-N-(2-propyltetrazol-5-yl)benzamide is CCCn1nnc(NC(=O)c2cccc(OCC)c2)n1.
What is the InChIKey of 3-ethoxy-N-(2-propyltetrazol-5-yl)benzamide?
The InChIKey is GFZMOTSQDPXJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-8-18-16-13(15-17-18)14-12(19)10-6-5-7-11(9-10)20-4-2/h5-7,9H,3-4,8H2,1-2H3,(H,14,16,19).
What are the key properties of 3-ethoxy-N-(2-propyltetrazol-5-yl)benzamide?
3-ethoxy-N-(2-propyltetrazol-5-yl)benzamide has a molecular weight of 275.31 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-propyltetrazol-5-yl)benzamide is sourced from PubChem (CID 893318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).