N-(1-adamantyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide

C19H23N5O — CID 650121

IUPACN-(1-adamantyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23N5O/c25-18(8-13-1-3-17(4-2-13)24-12-20-22-23-24)21-19-9-14-5-15(10-19)7-16(6-14)11-19/h1-4,12,14-16H,5-11H2,(H,21,25)
InChIKeyRICXLHFMLMYEED-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.29
Rot. Bonds4

About N-(1-adamantyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-(1-adamantyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 650121) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID650121
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-(1-adamantyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23N5O/c25-18(8-13-1-3-17(4-2-13)24-12-20-22-23-24)21-19-9-14-5-15(10-19)7-16(6-14)11-19/h1-4,12,14-16H,5-11H2,(H,21,25)
InChIKeyRICXLHFMLMYEED-UHFFFAOYSA-N
XLogP2.29
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 650121) is N-(1-adamantyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide is O=C(Cc1ccc(-n2cnnn2)cc1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is RICXLHFMLMYEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c25-18(8-13-1-3-17(4-2-13)24-12-20-22-23-24)21-19-9-14-5-15(10-19)7-16(6-14)11-19/h1-4,12,14-16H,5-11H2,(H,21,25).
What are the key properties of N-(1-adamantyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-(1-adamantyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 337.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 650121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).