(7R)-3-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]adamantane-1-carboxamide

C20H25N5O — CID 123882357

IUPAC(7R)-3-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]adamantane-1-carboxamide
SMILESNC(=O)C12CC3C[C@@H](C1)CC(C(Cc1ccccc1)c1nn[nH]n1)(C3)C2
InChIInChI=1S/C20H25N5O/c21-18(26)20-10-14-6-15(11-20)9-19(8-14,12-20)16(17-22-24-25-23-17)7-13-4-2-1-3-5-13/h1-5,14-16H,6-12H2,(H2,21,26)(H,22,23,24,25)/t14-,15?,16?,19?,20?/m1/s1
InChIKeyILLFUKUENRPLGM-FDZIYMCRSA-N
MW351.45 g/mol
LogP2.60
Rot. Bonds5

About (7R)-3-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]adamantane-1-carboxamide

(7R)-3-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]adamantane-1-carboxamide (PubChem CID 123882357) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is (7R)-3-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound Name(7R)-3-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]adamantane-1-carboxamide
PubChem CID123882357
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name(7R)-3-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]adamantane-1-carboxamide
SMILESNC(=O)C12CC3C[C@@H](C1)CC(C(Cc1ccccc1)c1nn[nH]n1)(C3)C2
InChIInChI=1S/C20H25N5O/c21-18(26)20-10-14-6-15(11-20)9-19(8-14,12-20)16(17-22-24-25-23-17)7-13-4-2-1-3-5-13/h1-5,14-16H,6-12H2,(H2,21,26)(H,22,23,24,25)/t14-,15?,16?,19?,20?/m1/s1
InChIKeyILLFUKUENRPLGM-FDZIYMCRSA-N
XLogP2.60
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-3-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]adamantane-1-carboxamide?
The IUPAC name of (7R)-3-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]adamantane-1-carboxamide (CID 123882357) is (7R)-3-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for (7R)-3-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for (7R)-3-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]adamantane-1-carboxamide is NC(=O)C12CC3C[C@@H](C1)CC(C(Cc1ccccc1)c1nn[nH]n1)(C3)C2.
What is the InChIKey of (7R)-3-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]adamantane-1-carboxamide?
The InChIKey is ILLFUKUENRPLGM-FDZIYMCRSA-N. The full InChI is InChI=1S/C20H25N5O/c21-18(26)20-10-14-6-15(11-20)9-19(8-14,12-20)16(17-22-24-25-23-17)7-13-4-2-1-3-5-13/h1-5,14-16H,6-12H2,(H2,21,26)(H,22,23,24,25)/t14-,15?,16?,19?,20?/m1/s1.
What are the key properties of (7R)-3-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]adamantane-1-carboxamide?
(7R)-3-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]adamantane-1-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 123882357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).