3-propan-2-yloxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide

C13H17N5O2 — CID 62920337

IUPAC3-propan-2-yloxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCC(C)Oc1cccc(C(=O)NC(C)c2nn[nH]n2)c1
InChIInChI=1S/C13H17N5O2/c1-8(2)20-11-6-4-5-10(7-11)13(19)14-9(3)12-15-17-18-16-12/h4-9H,1-3H3,(H,14,19)(H,15,16,17,18)
InChIKeyFYVJRDGOMQNJLU-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.48
Rot. Bonds5

About 3-propan-2-yloxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide

3-propan-2-yloxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide (PubChem CID 62920337) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-propan-2-yloxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
PubChem CID62920337
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name3-propan-2-yloxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCC(C)Oc1cccc(C(=O)NC(C)c2nn[nH]n2)c1
InChIInChI=1S/C13H17N5O2/c1-8(2)20-11-6-4-5-10(7-11)13(19)14-9(3)12-15-17-18-16-12/h4-9H,1-3H3,(H,14,19)(H,15,16,17,18)
InChIKeyFYVJRDGOMQNJLU-UHFFFAOYSA-N
XLogP1.48
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60910753
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
3-hydroxy-4-iodo-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 114103230
2-(3-methylphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60912147
2-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62248741
6-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-3-carboxamide
CID 62174233
N-(1-amino-1-hydroxyiminopentan-2-yl)-3-propan-2-yloxybenzamide
CID 76977889
4-[(4-fluorophenyl)methylamino]-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 45251703
methyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate
CID 62919485
2,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60911793
3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 46487521
3-amino-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 112575806

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The IUPAC name of 3-propan-2-yloxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide (CID 62920337) is 3-propan-2-yloxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-propan-2-yloxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3-propan-2-yloxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide is CC(C)Oc1cccc(C(=O)NC(C)c2nn[nH]n2)c1.
What is the InChIKey of 3-propan-2-yloxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The InChIKey is FYVJRDGOMQNJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-8(2)20-11-6-4-5-10(7-11)13(19)14-9(3)12-15-17-18-16-12/h4-9H,1-3H3,(H,14,19)(H,15,16,17,18).
What are the key properties of 3-propan-2-yloxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
3-propan-2-yloxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide has a molecular weight of 275.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 62920337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).