4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide

C13H18N6O — CID 60865372

IUPAC4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide
SMILESCC(NCCCC(N)=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C13H18N6O/c1-10(15-7-3-6-13(14)20)11-4-2-5-12(8-11)19-9-16-17-18-19/h2,4-5,8-10,15H,3,6-7H2,1H3,(H2,14,20)
InChIKeyAZPIKFGQSQJVDW-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.58
Rot. Bonds7

About 4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide

4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide (PubChem CID 60865372) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide.

Molecular Properties

Compound Name4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide
PubChem CID60865372
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide
SMILESCC(NCCCC(N)=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C13H18N6O/c1-10(15-7-3-6-13(14)20)11-4-2-5-12(8-11)19-9-16-17-18-19/h2,4-5,8-10,15H,3,6-7H2,1H3,(H2,14,20)
InChIKeyAZPIKFGQSQJVDW-UHFFFAOYSA-N
XLogP0.58
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide
CID 106171764
3-methoxy-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 43205101
N-(2-methylsulfinylethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 115720609
2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61166998
N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pent-3-yn-1-amine
CID 116642927
N-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 103903267
4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide
CID 60865016
N-(2-prop-2-ynylsulfanylethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 103902546
1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 43204738
N-(pyridin-2-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 43195693
1-[3-(tetrazol-1-yl)phenyl]-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 63830975
N-(1,2-oxazol-5-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 106415586

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide?
The IUPAC name of 4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide (CID 60865372) is 4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide.
What is the SMILES notation for 4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide?
The canonical SMILES for 4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide is CC(NCCCC(N)=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide?
The InChIKey is AZPIKFGQSQJVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-10(15-7-3-6-13(14)20)11-4-2-5-12(8-11)19-9-16-17-18-19/h2,4-5,8-10,15H,3,6-7H2,1H3,(H2,14,20).
What are the key properties of 4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide?
4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide has a molecular weight of 274.33 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide is sourced from PubChem (CID 60865372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).