N-(2-ethyltetrazol-5-yl)-2-methoxy-3-methylbenzamide

C12H15N5O2 — CID 953028

IUPACN-(2-ethyltetrazol-5-yl)-2-methoxy-3-methylbenzamide
SMILESCCn1nnc(NC(=O)c2cccc(C)c2OC)n1
InChIInChI=1S/C12H15N5O2/c1-4-17-15-12(14-16-17)13-11(18)9-7-5-6-8(2)10(9)19-3/h5-7H,4H2,1-3H3,(H,13,15,18)
InChIKeyZUNDYKSMPHJLRF-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.26
Rot. Bonds4

About N-(2-ethyltetrazol-5-yl)-2-methoxy-3-methylbenzamide

N-(2-ethyltetrazol-5-yl)-2-methoxy-3-methylbenzamide (PubChem CID 953028) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-(2-ethyltetrazol-5-yl)-2-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-ethyltetrazol-5-yl)-2-methoxy-3-methylbenzamide
PubChem CID953028
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC NameN-(2-ethyltetrazol-5-yl)-2-methoxy-3-methylbenzamide
SMILESCCn1nnc(NC(=O)c2cccc(C)c2OC)n1
InChIInChI=1S/C12H15N5O2/c1-4-17-15-12(14-16-17)13-11(18)9-7-5-6-8(2)10(9)19-3/h5-7H,4H2,1-3H3,(H,13,15,18)
InChIKeyZUNDYKSMPHJLRF-UHFFFAOYSA-N
XLogP1.26
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.26
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
5-chloro-2-methoxy-N-(2-methyl-2H-tetrazol-5-yl)benzamide
CID 648937
3,5-dibromo-2-methoxy-N-(2-propyltetrazol-5-yl)benzamide
CID 663030
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
N-(2-Ethyl-2H-tetrazol-5-yl)-2,6-dimethoxy-benzamide
CID 650151
3-Propoxy-N-(2-propyl-2H-tetrazol-5-yl)-benzamide
CID 649277
4-ethoxy-N-(2-ethyl-2H-tetrazol-5-yl)benzamide
CID 654362
5-bromo-2-methoxy-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 894139
2-ethoxy-N-(1H-tetrazol-5-yl)benzamide
CID 896527

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyltetrazol-5-yl)-2-methoxy-3-methylbenzamide?
The IUPAC name of N-(2-ethyltetrazol-5-yl)-2-methoxy-3-methylbenzamide (CID 953028) is N-(2-ethyltetrazol-5-yl)-2-methoxy-3-methylbenzamide.
What is the SMILES notation for N-(2-ethyltetrazol-5-yl)-2-methoxy-3-methylbenzamide?
The canonical SMILES for N-(2-ethyltetrazol-5-yl)-2-methoxy-3-methylbenzamide is CCn1nnc(NC(=O)c2cccc(C)c2OC)n1.
What is the InChIKey of N-(2-ethyltetrazol-5-yl)-2-methoxy-3-methylbenzamide?
The InChIKey is ZUNDYKSMPHJLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-4-17-15-12(14-16-17)13-11(18)9-7-5-6-8(2)10(9)19-3/h5-7H,4H2,1-3H3,(H,13,15,18).
What are the key properties of N-(2-ethyltetrazol-5-yl)-2-methoxy-3-methylbenzamide?
N-(2-ethyltetrazol-5-yl)-2-methoxy-3-methylbenzamide has a molecular weight of 261.29 g/mol, XLogP of 1.26, 4 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)-2-methoxy-3-methylbenzamide is sourced from PubChem (CID 953028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).