N-(2-ethyltetrazol-5-yl)-4-propan-2-yloxybenzamide

C13H17N5O2 — CID 965760

IUPACN-(2-ethyltetrazol-5-yl)-4-propan-2-yloxybenzamide
SMILESCCn1nnc(NC(=O)c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C13H17N5O2/c1-4-18-16-13(15-17-18)14-12(19)10-5-7-11(8-6-10)20-9(2)3/h5-9H,4H2,1-3H3,(H,14,16,19)
InChIKeyLOBDSSUJCWXCSZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.73
Rot. Bonds5

About N-(2-ethyltetrazol-5-yl)-4-propan-2-yloxybenzamide

N-(2-ethyltetrazol-5-yl)-4-propan-2-yloxybenzamide (PubChem CID 965760) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(2-ethyltetrazol-5-yl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(2-ethyltetrazol-5-yl)-4-propan-2-yloxybenzamide
PubChem CID965760
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-(2-ethyltetrazol-5-yl)-4-propan-2-yloxybenzamide
SMILESCCn1nnc(NC(=O)c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C13H17N5O2/c1-4-18-16-13(15-17-18)14-12(19)10-5-7-11(8-6-10)20-9(2)3/h5-9H,4H2,1-3H3,(H,14,16,19)
InChIKeyLOBDSSUJCWXCSZ-UHFFFAOYSA-N
XLogP1.73
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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
4-isobutoxy-N-4H-1,2,4-triazol-3-ylbenzamide
CID 2993321
3-ethoxy-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 893318
4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
CID 900454
N-(4-Butoxy-benzoyl)-N''-(4-phenyl-butyl)-guanidine
CID 10316911
N-(4-Ethoxy-benzoyl)-N''-(4-phenyl-butyl)-guanidine
CID 22149294
4-ethoxy-N-4H-1,2,4-triazol-3-ylbenzamide
CID 590988
3-Propoxy-N-(2-propyl-2H-tetrazol-5-yl)-benzamide
CID 649277
4-ethoxy-N-(2-ethyl-2H-tetrazol-5-yl)benzamide
CID 654362
(3-Amino-[1,2,4]triazol-4-yl)-(4-ethoxy-phenyl)-methanone
CID 891558
2-ethoxy-N-(1H-tetrazol-5-yl)benzamide
CID 896527
4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 938458

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyltetrazol-5-yl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(2-ethyltetrazol-5-yl)-4-propan-2-yloxybenzamide (CID 965760) is N-(2-ethyltetrazol-5-yl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(2-ethyltetrazol-5-yl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(2-ethyltetrazol-5-yl)-4-propan-2-yloxybenzamide is CCn1nnc(NC(=O)c2ccc(OC(C)C)cc2)n1.
What is the InChIKey of N-(2-ethyltetrazol-5-yl)-4-propan-2-yloxybenzamide?
The InChIKey is LOBDSSUJCWXCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-4-18-16-13(15-17-18)14-12(19)10-5-7-11(8-6-10)20-9(2)3/h5-9H,4H2,1-3H3,(H,14,16,19).
What are the key properties of N-(2-ethyltetrazol-5-yl)-4-propan-2-yloxybenzamide?
N-(2-ethyltetrazol-5-yl)-4-propan-2-yloxybenzamide has a molecular weight of 275.31 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyltetrazol-5-yl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 965760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).