N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-(tetrazol-1-yl)acetamide

C14H16N6O — CID 81288536

IUPACN-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-(tetrazol-1-yl)acetamide
SMILESCCc1cc(C#CCN)ccc1NC(=O)Cn1cnnn1
InChIInChI=1S/C14H16N6O/c1-2-12-8-11(4-3-7-15)5-6-13(12)17-14(21)9-20-10-16-18-19-20/h5-6,8,10H,2,7,9,15H2,1H3,(H,17,21)
InChIKeyBDXKLRJXBZCBCZ-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.18
Rot. Bonds4

About N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-(tetrazol-1-yl)acetamide

N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 81288536) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-(tetrazol-1-yl)acetamide
PubChem CID81288536
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-(tetrazol-1-yl)acetamide
SMILESCCc1cc(C#CCN)ccc1NC(=O)Cn1cnnn1
InChIInChI=1S/C14H16N6O/c1-2-12-8-11(4-3-7-15)5-6-13(12)17-14(21)9-20-10-16-18-19-20/h5-6,8,10H,2,7,9,15H2,1H3,(H,17,21)
InChIKeyBDXKLRJXBZCBCZ-UHFFFAOYSA-N
XLogP0.18
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropanamide
CID 81292122
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]pentanamide
CID 81292452
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-methoxypropanamide
CID 81292865
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylbutanamide
CID 81292346
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-methylimidazole-4-carboxamide
CID 103511844
1-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-propylurea
CID 81287127
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]furan-3-carboxamide
CID 81292862
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-chlorofuran-3-carboxamide
CID 106688777
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 81288540
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-4-methylthiadiazole-5-carboxamide
CID 81288310
N-(6-chloro-2-methyl-3-pyridinyl)-2-(tetrazol-1-yl)acetamide
CID 107301047
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide
CID 81292394

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-(tetrazol-1-yl)acetamide (CID 81288536) is N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-(tetrazol-1-yl)acetamide is CCc1cc(C#CCN)ccc1NC(=O)Cn1cnnn1.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is BDXKLRJXBZCBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-2-12-8-11(4-3-7-15)5-6-13(12)17-14(21)9-20-10-16-18-19-20/h5-6,8,10H,2,7,9,15H2,1H3,(H,17,21).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-(tetrazol-1-yl)acetamide?
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 284.32 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 81288536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).