N-(4-acetamidophenyl)-3-(tetrazol-1-yl)propanamide

C12H14N6O2 — CID 5297376

IUPACN-(4-acetamidophenyl)-3-(tetrazol-1-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCn2cnnn2)cc1
InChIInChI=1S/C12H14N6O2/c1-9(19)14-10-2-4-11(5-3-10)15-12(20)6-7-18-8-13-16-17-18/h2-5,8H,6-7H2,1H3,(H,14,19)(H,15,20)
InChIKeyPWTUTBGUUCMZPK-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.66
Rot. Bonds5

About N-(4-acetamidophenyl)-3-(tetrazol-1-yl)propanamide

N-(4-acetamidophenyl)-3-(tetrazol-1-yl)propanamide (PubChem CID 5297376) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(tetrazol-1-yl)propanamide
PubChem CID5297376
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC NameN-(4-acetamidophenyl)-3-(tetrazol-1-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCn2cnnn2)cc1
InChIInChI=1S/C12H14N6O2/c1-9(19)14-10-2-4-11(5-3-10)15-12(20)6-7-18-8-13-16-17-18/h2-5,8H,6-7H2,1H3,(H,14,19)(H,15,20)
InChIKeyPWTUTBGUUCMZPK-UHFFFAOYSA-N
XLogP0.66
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-fluorophenyl)phenyl]-3-(tetrazol-1-yl)propanamide
CID 46972210
2-chloro-N-methyl-5-[3-(tetrazol-1-yl)propanoylamino]benzamide
CID 125431915
N-(5-methyl-1,2-oxazol-3-yl)-3-(tetrazol-1-yl)propanamide
CID 5301293
N-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide
CID 78776629
propan-2-yl 4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate
CID 17404193
N-phenyl-2-(tetrazol-1-yl)acetamide
CID 24977364
1-[3-(4-acetamidoanilino)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19482893
N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-4-(tetrazol-1-yl)butanamide
CID 125431718
3-[4-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]propanoic acid
CID 81369358
N-[4-(tetrazol-1-yl)phenyl]hexanamide
CID 18083677
N-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)propanamide
CID 46970101
N-(2,6-dimethoxypyrimidin-4-yl)-3-(tetrazol-1-yl)propanamide
CID 5300007

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(tetrazol-1-yl)propanamide (CID 5297376) is N-(4-acetamidophenyl)-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(tetrazol-1-yl)propanamide is CC(=O)Nc1ccc(NC(=O)CCn2cnnn2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(tetrazol-1-yl)propanamide?
The InChIKey is PWTUTBGUUCMZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c1-9(19)14-10-2-4-11(5-3-10)15-12(20)6-7-18-8-13-16-17-18/h2-5,8H,6-7H2,1H3,(H,14,19)(H,15,20).
What are the key properties of N-(4-acetamidophenyl)-3-(tetrazol-1-yl)propanamide?
N-(4-acetamidophenyl)-3-(tetrazol-1-yl)propanamide has a molecular weight of 274.28 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 5297376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).