N-(3-acetylphenyl)-2-(5-tert-butyltetrazol-1-yl)acetamide

C15H19N5O2 — CID 60548282

IUPACN-(3-acetylphenyl)-2-(5-tert-butyltetrazol-1-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2nnnc2C(C)(C)C)c1
InChIInChI=1S/C15H19N5O2/c1-10(21)11-6-5-7-12(8-11)16-13(22)9-20-14(15(2,3)4)17-18-19-20/h5-8H,9H2,1-4H3,(H,16,22)
InChIKeyRCJNFVUATBHAKJ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.81
Rot. Bonds4

About N-(3-acetylphenyl)-2-(5-tert-butyltetrazol-1-yl)acetamide

N-(3-acetylphenyl)-2-(5-tert-butyltetrazol-1-yl)acetamide (PubChem CID 60548282) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(5-tert-butyltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(5-tert-butyltetrazol-1-yl)acetamide
PubChem CID60548282
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-(3-acetylphenyl)-2-(5-tert-butyltetrazol-1-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2nnnc2C(C)(C)C)c1
InChIInChI=1S/C15H19N5O2/c1-10(21)11-6-5-7-12(8-11)16-13(22)9-20-14(15(2,3)4)17-18-19-20/h5-8H,9H2,1-4H3,(H,16,22)
InChIKeyRCJNFVUATBHAKJ-UHFFFAOYSA-N
XLogP1.81
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-tert-butyltetrazol-1-yl)-N-(3-fluorophenyl)acetamide
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N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide
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N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
2-(5-tert-butyltetrazol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 51089388
N-(3-acetylphenyl)propanamide
CID 903063
N-(3-acetylphenyl)-2-(tert-butylamino)acetamide
CID 31628083
N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410437
1-[2-(3-acetylanilino)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carboxamide
CID 53335238
N-(3-acetylphenyl)-2-(4-tert-butylphenyl)sulfanylacetamide
CID 2969914
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 43431779
N-(3-acetylphenyl)-3,4,4-trimethylpentanamide
CID 55260812
N-(3-acetylphenyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 9150724

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(5-tert-butyltetrazol-1-yl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(5-tert-butyltetrazol-1-yl)acetamide (CID 60548282) is N-(3-acetylphenyl)-2-(5-tert-butyltetrazol-1-yl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(5-tert-butyltetrazol-1-yl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(5-tert-butyltetrazol-1-yl)acetamide is CC(=O)c1cccc(NC(=O)Cn2nnnc2C(C)(C)C)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(5-tert-butyltetrazol-1-yl)acetamide?
The InChIKey is RCJNFVUATBHAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10(21)11-6-5-7-12(8-11)16-13(22)9-20-14(15(2,3)4)17-18-19-20/h5-8H,9H2,1-4H3,(H,16,22).
What are the key properties of N-(3-acetylphenyl)-2-(5-tert-butyltetrazol-1-yl)acetamide?
N-(3-acetylphenyl)-2-(5-tert-butyltetrazol-1-yl)acetamide has a molecular weight of 301.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(5-tert-butyltetrazol-1-yl)acetamide is sourced from PubChem (CID 60548282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).