N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide

C12H15N5O2 — CID 3188669

IUPACN-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCOCCNC(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C12H15N5O2/c1-19-8-7-13-11(18)9-17-15-12(14-16-17)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,18)
InChIKeyGGTRWVYCVVFAFH-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.10
Rot. Bonds6

About N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide

N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 3188669) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID3188669
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC NameN-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCOCCNC(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C12H15N5O2/c1-19-8-7-13-11(18)9-17-15-12(14-16-17)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,18)
InChIKeyGGTRWVYCVVFAFH-UHFFFAOYSA-N
XLogP0.10
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.10
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

2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyethyl)acetamide
CID 3188672
N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 119498184
N-(3,3-diphenylpropyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7277981
4-(methoxymethyl)-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
CID 8635386
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide
CID 8586996
methyl (2S)-2-[(2-iodoacetyl)amino]-6-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]hexanoate
CID 156529829
N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8684981
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-phenylpropyl)acetamide
CID 36657700
N-[(2R)-2-(ethylamino)propyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 120651901
N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508187
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 112775878

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide (CID 3188669) is N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide is COCCNC(=O)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is GGTRWVYCVVFAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-19-8-7-13-11(18)9-17-15-12(14-16-17)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,18).
What are the key properties of N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide?
N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 261.29 g/mol, XLogP of 0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 3188669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).