4-methoxy-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide

C12H15N5O2 — CID 97183865

IUPAC4-methoxy-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide
SMILESCOCCCC(=O)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C12H15N5O2/c1-19-8-2-3-11(18)13-10-6-4-9(5-7-10)12-14-16-17-15-12/h4-7H,2-3,8H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyNGZDHWWFBVQETP-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.23
Rot. Bonds6

About 4-methoxy-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide

4-methoxy-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide (PubChem CID 97183865) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-methoxy-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide
PubChem CID97183865
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name4-methoxy-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide
SMILESCOCCCC(=O)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C12H15N5O2/c1-19-8-2-3-11(18)13-10-6-4-9(5-7-10)12-14-16-17-15-12/h4-7H,2-3,8H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyNGZDHWWFBVQETP-UHFFFAOYSA-N
XLogP1.23
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.23
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

methyl 4-oxo-4-[4-(2H-tetrazol-5-yl)anilino]butanoate
CID 110720176
4-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 47282826
3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide
CID 110720173
2-(4-methylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110720232
2,6-dimethoxy-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 110720193
3-(2,5-dimethoxyphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]propanamide
CID 86865604
N-(4-octoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 11372797
N-[4-(2-hydroxyethoxy)phenyl]-4-methoxybutanamide
CID 139895558
4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 110720188
2-(4-hydroxyphenyl)-N-[2-oxo-2-[4-(2H-tetrazol-5-yl)anilino]ethyl]acetamide
CID 166206540
2-(3-methylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110720231
2-(3-methylphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110720239

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide?
The IUPAC name of 4-methoxy-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide (CID 97183865) is 4-methoxy-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide.
What is the SMILES notation for 4-methoxy-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide?
The canonical SMILES for 4-methoxy-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide is COCCCC(=O)Nc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide?
The InChIKey is NGZDHWWFBVQETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-19-8-2-3-11(18)13-10-6-4-9(5-7-10)12-14-16-17-15-12/h4-7H,2-3,8H2,1H3,(H,13,18)(H,14,15,16,17).
What are the key properties of 4-methoxy-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide?
4-methoxy-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide has a molecular weight of 261.29 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide is sourced from PubChem (CID 97183865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).