N-(3-methoxypropyl)-2-(5-methyltetrazol-1-yl)benzamide

C13H17N5O2 — CID 71709929

IUPACN-(3-methoxypropyl)-2-(5-methyltetrazol-1-yl)benzamide
SMILESCOCCCNC(=O)c1ccccc1-n1nnnc1C
InChIInChI=1S/C13H17N5O2/c1-10-15-16-17-18(10)12-7-4-3-6-11(12)13(19)14-8-5-9-20-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,14,19)
InChIKeyWGHGBFQALDBNRZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.74
Rot. Bonds6

About N-(3-methoxypropyl)-2-(5-methyltetrazol-1-yl)benzamide

N-(3-methoxypropyl)-2-(5-methyltetrazol-1-yl)benzamide (PubChem CID 71709929) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(5-methyltetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(5-methyltetrazol-1-yl)benzamide
PubChem CID71709929
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-(3-methoxypropyl)-2-(5-methyltetrazol-1-yl)benzamide
SMILESCOCCCNC(=O)c1ccccc1-n1nnnc1C
InChIInChI=1S/C13H17N5O2/c1-10-15-16-17-18(10)12-7-4-3-6-11(12)13(19)14-8-5-9-20-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,14,19)
InChIKeyWGHGBFQALDBNRZ-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-indol-1-ylethyl)-2-(5-methyltetrazol-1-yl)benzamide
CID 56762296
N-[(2R)-2-ethylhexyl]-2-(5-methyltetrazol-1-yl)benzamide
CID 95860551
N-(1-hydroxy-3-methylbutan-2-yl)-2-(5-methyltetrazol-1-yl)benzamide
CID 91823247
2-(5-methyltetrazol-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 95390659
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyltetrazol-1-yl)benzamide
CID 71703495
2-benzoyl-N-(3-methoxypropyl)benzamide
CID 11841231
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
N-[3-(1-phenylethoxy)propyl]-2-(tetrazol-1-yl)benzamide
CID 24678149
N-(3-methoxypropyl)-2-sulfamoylbenzamide
CID 43164716
N-(2-methoxyethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 51217100
N-(3-methoxypropyl)-2-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide
CID 51261369

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(5-methyltetrazol-1-yl)benzamide?
The IUPAC name of N-(3-methoxypropyl)-2-(5-methyltetrazol-1-yl)benzamide (CID 71709929) is N-(3-methoxypropyl)-2-(5-methyltetrazol-1-yl)benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(5-methyltetrazol-1-yl)benzamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(5-methyltetrazol-1-yl)benzamide is COCCCNC(=O)c1ccccc1-n1nnnc1C.
What is the InChIKey of N-(3-methoxypropyl)-2-(5-methyltetrazol-1-yl)benzamide?
The InChIKey is WGHGBFQALDBNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-10-15-16-17-18(10)12-7-4-3-6-11(12)13(19)14-8-5-9-20-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,14,19).
What are the key properties of N-(3-methoxypropyl)-2-(5-methyltetrazol-1-yl)benzamide?
N-(3-methoxypropyl)-2-(5-methyltetrazol-1-yl)benzamide has a molecular weight of 275.31 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(5-methyltetrazol-1-yl)benzamide is sourced from PubChem (CID 71709929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).