2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide

C18H21N5O3 — CID 644791

IUPAC2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCCCOc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1
InChIInChI=1S/C18H21N5O3/c1-2-3-10-25-15-8-6-14(7-9-15)18-20-22-23(21-18)13-17(24)19-12-16-5-4-11-26-16/h4-9,11H,2-3,10,12-13H2,1H3,(H,19,24)
InChIKeyJUHBAVDRLGEFCZ-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.43
Rot. Bonds9

About 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide

2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 644791) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID644791
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCCCOc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1
InChIInChI=1S/C18H21N5O3/c1-2-3-10-25-15-8-6-14(7-9-15)18-20-22-23(21-18)13-17(24)19-12-16-5-4-11-26-16/h4-9,11H,2-3,10,12-13H2,1H3,(H,19,24)
InChIKeyJUHBAVDRLGEFCZ-UHFFFAOYSA-N
XLogP2.43
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 1175335
2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 649183
2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3166708
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 30823180
N-(furan-2-ylmethyl)-4-heptoxybenzamide
CID 3131904
2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(3,4-dichlorophenyl)acetamide
CID 3136442
4-hexoxy-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
CID 9468307
N-(furan-2-ylmethyl)-2-(4-heptoxyanilino)acetamide
CID 54821868
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-propoxybenzamide
CID 18118956
ethyl 5-[[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]methyl]furan-2-carboxylate
CID 1262815
2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 3170398
N-[(Z)-(4-hexoxyphenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7929860

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide (CID 644791) is 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide is CCCCOc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1.
What is the InChIKey of 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is JUHBAVDRLGEFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-2-3-10-25-15-8-6-14(7-9-15)18-20-22-23(21-18)13-17(24)19-12-16-5-4-11-26-16/h4-9,11H,2-3,10,12-13H2,1H3,(H,19,24).
What are the key properties of 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide?
2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 355.40 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 644791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).