2-pentoxy-N-[2-(2H-tetrazol-5-yl)phenyl]acetamide

C14H19N5O2 — CID 126830336

IUPAC2-pentoxy-N-[2-(2H-tetrazol-5-yl)phenyl]acetamide
SMILESCCCCCOCC(=O)Nc1ccccc1-c1nn[nH]n1
InChIInChI=1S/C14H19N5O2/c1-2-3-6-9-21-10-13(20)15-12-8-5-4-7-11(12)14-16-18-19-17-14/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,15,20)(H,16,17,18,19)
InChIKeyHHNZZZHZTZSDGQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.01
Rot. Bonds8

About 2-pentoxy-N-[2-(2H-tetrazol-5-yl)phenyl]acetamide

2-pentoxy-N-[2-(2H-tetrazol-5-yl)phenyl]acetamide (PubChem CID 126830336) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-pentoxy-N-[2-(2H-tetrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-pentoxy-N-[2-(2H-tetrazol-5-yl)phenyl]acetamide
PubChem CID126830336
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-pentoxy-N-[2-(2H-tetrazol-5-yl)phenyl]acetamide
SMILESCCCCCOCC(=O)Nc1ccccc1-c1nn[nH]n1
InChIInChI=1S/C14H19N5O2/c1-2-3-6-9-21-10-13(20)15-12-8-5-4-7-11(12)14-16-18-19-17-14/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,15,20)(H,16,17,18,19)
InChIKeyHHNZZZHZTZSDGQ-UHFFFAOYSA-N
XLogP2.01
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3,5,5-trimethyl-N-[2-(2H-tetrazol-5-yl)phenyl]hexanamide
CID 95246521
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-pentoxyacetamide
CID 110909879
2-[4-[(2-pentoxyacetyl)amino]naphthalen-1-yl]oxyacetic acid
CID 119219204
4-(pentanoylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]benzoic acid
CID 18929695
N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride
CID 119422200
N-(2-amino-5-chlorophenyl)-2-pentoxyacetamide
CID 43274990
N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride
CID 120568568
1-[2-[(2-butoxyacetyl)amino]phenyl]pyrazole-3-carboxylic acid
CID 119206655
N-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 162647842
N-(4-iodo-1H-pyrazol-5-yl)-2-pentoxyacetamide
CID 126832712
N-(5-amino-2-methoxyphenyl)-2-pentoxyacetamide
CID 43275007
N-(2-amino-5-chlorophenyl)-2-heptoxyacetamide
CID 43127087

Frequently Asked Questions

What is the IUPAC name of 2-pentoxy-N-[2-(2H-tetrazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-pentoxy-N-[2-(2H-tetrazol-5-yl)phenyl]acetamide (CID 126830336) is 2-pentoxy-N-[2-(2H-tetrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-pentoxy-N-[2-(2H-tetrazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-pentoxy-N-[2-(2H-tetrazol-5-yl)phenyl]acetamide is CCCCCOCC(=O)Nc1ccccc1-c1nn[nH]n1.
What is the InChIKey of 2-pentoxy-N-[2-(2H-tetrazol-5-yl)phenyl]acetamide?
The InChIKey is HHNZZZHZTZSDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-3-6-9-21-10-13(20)15-12-8-5-4-7-11(12)14-16-18-19-17-14/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,15,20)(H,16,17,18,19).
What are the key properties of 2-pentoxy-N-[2-(2H-tetrazol-5-yl)phenyl]acetamide?
2-pentoxy-N-[2-(2H-tetrazol-5-yl)phenyl]acetamide has a molecular weight of 289.34 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxy-N-[2-(2H-tetrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 126830336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).