2-amino-N-[4-(5-phenyltetrazol-2-yl)butyl]acetamide

C13H18N6O — CID 177376612

IUPAC2-amino-N-[4-(5-phenyltetrazol-2-yl)butyl]acetamide
SMILESNCC(=O)NCCCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C13H18N6O/c14-10-12(20)15-8-4-5-9-19-17-13(16-18-19)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,14H2,(H,15,20)
InChIKeyJKYPDHLXKLWJIQ-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.20
Rot. Bonds7

About 2-amino-N-[4-(5-phenyltetrazol-2-yl)butyl]acetamide

2-amino-N-[4-(5-phenyltetrazol-2-yl)butyl]acetamide (PubChem CID 177376612) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-amino-N-[4-(5-phenyltetrazol-2-yl)butyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-(5-phenyltetrazol-2-yl)butyl]acetamide
PubChem CID177376612
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-amino-N-[4-(5-phenyltetrazol-2-yl)butyl]acetamide
SMILESNCC(=O)NCCCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C13H18N6O/c14-10-12(20)15-8-4-5-9-19-17-13(16-18-19)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,14H2,(H,15,20)
InChIKeyJKYPDHLXKLWJIQ-UHFFFAOYSA-N
XLogP0.20
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 ≤ 50.20
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-amino-N-[8-(5-phenyltetrazol-2-yl)octyl]acetamide
CID 177376615
2-amino-N-[6-(5-phenyltetrazol-2-yl)hexyl]acetamide
CID 177376609
2-amino-N-[6-(5-thiophen-3-yltetrazol-2-yl)hexyl]acetamide
CID 177376627
N-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine
CID 62447153
N-(3,3-diphenylpropyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7277981
N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 119498184
6-(5-phenyltetrazol-2-yl)hexan-3-one
CID 104623292
methyl (2S)-2-[(2-iodoacetyl)amino]-6-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]hexanoate
CID 156529829
N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669
N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-phenyltetrazol-2-yl)butanamide
CID 111484159
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide
CID 95295934
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(5-phenyltetrazol-2-yl)butyl]acetamide?
The IUPAC name of 2-amino-N-[4-(5-phenyltetrazol-2-yl)butyl]acetamide (CID 177376612) is 2-amino-N-[4-(5-phenyltetrazol-2-yl)butyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-(5-phenyltetrazol-2-yl)butyl]acetamide?
The canonical SMILES for 2-amino-N-[4-(5-phenyltetrazol-2-yl)butyl]acetamide is NCC(=O)NCCCCn1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-amino-N-[4-(5-phenyltetrazol-2-yl)butyl]acetamide?
The InChIKey is JKYPDHLXKLWJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c14-10-12(20)15-8-4-5-9-19-17-13(16-18-19)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,14H2,(H,15,20).
What are the key properties of 2-amino-N-[4-(5-phenyltetrazol-2-yl)butyl]acetamide?
2-amino-N-[4-(5-phenyltetrazol-2-yl)butyl]acetamide has a molecular weight of 274.33 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(5-phenyltetrazol-2-yl)butyl]acetamide is sourced from PubChem (CID 177376612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).