N-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide

C15H21N5O — CID 8778733

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)Cn1cnnn1
InChIInChI=1S/C15H21N5O/c1-10(2)12-6-5-7-13(11(3)4)15(12)17-14(21)8-20-9-16-18-19-20/h5-7,9-11H,8H2,1-4H3,(H,17,21)
InChIKeyAYSZAGQXIKFMTA-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.56
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 8778733) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
PubChem CID8778733
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)Cn1cnnn1
InChIInChI=1S/C15H21N5O/c1-10(2)12-6-5-7-13(11(3)4)15(12)17-14(21)8-20-9-16-18-19-20/h5-7,9-11H,8H2,1-4H3,(H,17,21)
InChIKeyAYSZAGQXIKFMTA-UHFFFAOYSA-N
XLogP2.56
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 8778807
N-(3-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide
CID 28739859
N-(2-propan-2-ylsulfanylphenyl)-2-(tetrazol-1-yl)acetamide
CID 167901485
N-(2-propan-2-ylpyrazol-3-yl)-2-(tetrazol-1-yl)acetamide
CID 112793457
2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8583845
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N-propan-2-yl-4-[[2-(tetrazol-1-yl)acetyl]amino]benzamide
CID 60533950
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
N-[4-(diethylamino)phenyl]-2-(tetrazol-1-yl)acetamide
CID 78776629
methyl (2S)-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
CID 56817529
2-(4-bromopyrazol-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 52666291
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide
CID 113000636

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide (CID 8778733) is N-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)Cn1cnnn1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is AYSZAGQXIKFMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10(2)12-6-5-7-13(11(3)4)15(12)17-14(21)8-20-9-16-18-19-20/h5-7,9-11H,8H2,1-4H3,(H,17,21).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 287.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 8778733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).