N-[(1R)-1-(1-adamantyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide

C21H27N5O — CID 7335558

IUPACN-[(1R)-1-(1-adamantyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESC[C@@H](NC(=O)Cn1nnc(-c2ccccc2)n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H27N5O/c1-14(21-10-15-7-16(11-21)9-17(8-15)12-21)22-19(27)13-26-24-20(23-25-26)18-5-3-2-4-6-18/h2-6,14-17H,7-13H2,1H3,(H,22,27)/t14-,15?,16?,17?,21?/m1/s1
InChIKeyZUFZPCBUTKRXHY-LFPRZYRFSA-N
MW365.48 g/mol
LogP3.06
Rot. Bonds5

About N-[(1R)-1-(1-adamantyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide

N-[(1R)-1-(1-adamantyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 7335558) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID7335558
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-[(1R)-1-(1-adamantyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESC[C@@H](NC(=O)Cn1nnc(-c2ccccc2)n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H27N5O/c1-14(21-10-15-7-16(11-21)9-17(8-15)12-21)22-19(27)13-26-24-20(23-25-26)18-5-3-2-4-6-18/h2-6,14-17H,7-13H2,1H3,(H,22,27)/t14-,15?,16?,17?,21?/m1/s1
InChIKeyZUFZPCBUTKRXHY-LFPRZYRFSA-N
XLogP3.06
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-adamantyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 4810008
N-[1-(1-adamantyl)ethyl]-2-[[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 5298799
N-[(1R)-1-cyclopropylethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8685045
N-[(Z)-1-(1-adamantyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524147
3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119221158
N-(dicyclopropylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 29466684
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634196
3-[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 7984777
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634209
N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242132
N-[(1R)-1-phenylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589016
N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 119498184

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide (CID 7335558) is N-[(1R)-1-(1-adamantyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide is C[C@@H](NC(=O)Cn1nnc(-c2ccccc2)n1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is ZUFZPCBUTKRXHY-LFPRZYRFSA-N. The full InChI is InChI=1S/C21H27N5O/c1-14(21-10-15-7-16(11-21)9-17(8-15)12-21)22-19(27)13-26-24-20(23-25-26)18-5-3-2-4-6-18/h2-6,14-17H,7-13H2,1H3,(H,22,27)/t14-,15?,16?,17?,21?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[(1R)-1-(1-adamantyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 365.48 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 7335558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).