N-(2-adamantyl)-4-methyl-3,4-dihydronaphthalene-1-carboxamide

C22H27NO — CID 59658255

IUPACN-(2-adamantyl)-4-methyl-3,4-dihydronaphthalene-1-carboxamide
SMILESCC1CC=C(C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc21
InChIInChI=1S/C22H27NO/c1-13-6-7-20(19-5-3-2-4-18(13)19)22(24)23-21-16-9-14-8-15(11-16)12-17(21)10-14/h2-5,7,13-17,21H,6,8-12H2,1H3,(H,23,24)
InChIKeyJWZLJGHBGSYGNP-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.52
Rot. Bonds2

About N-(2-adamantyl)-4-methyl-3,4-dihydronaphthalene-1-carboxamide

N-(2-adamantyl)-4-methyl-3,4-dihydronaphthalene-1-carboxamide (PubChem CID 59658255) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is N-(2-adamantyl)-4-methyl-3,4-dihydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-4-methyl-3,4-dihydronaphthalene-1-carboxamide
PubChem CID59658255
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC NameN-(2-adamantyl)-4-methyl-3,4-dihydronaphthalene-1-carboxamide
SMILESCC1CC=C(C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc21
InChIInChI=1S/C22H27NO/c1-13-6-7-20(19-5-3-2-4-18(13)19)22(24)23-21-16-9-14-8-15(11-16)12-17(21)10-14/h2-5,7,13-17,21H,6,8-12H2,1H3,(H,23,24)
InChIKeyJWZLJGHBGSYGNP-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-4-methyl-3,4-dihydronaphthalene-1-carboxamide?
The IUPAC name of N-(2-adamantyl)-4-methyl-3,4-dihydronaphthalene-1-carboxamide (CID 59658255) is N-(2-adamantyl)-4-methyl-3,4-dihydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-4-methyl-3,4-dihydronaphthalene-1-carboxamide?
The canonical SMILES for N-(2-adamantyl)-4-methyl-3,4-dihydronaphthalene-1-carboxamide is CC1CC=C(C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc21.
What is the InChIKey of N-(2-adamantyl)-4-methyl-3,4-dihydronaphthalene-1-carboxamide?
The InChIKey is JWZLJGHBGSYGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-13-6-7-20(19-5-3-2-4-18(13)19)22(24)23-21-16-9-14-8-15(11-16)12-17(21)10-14/h2-5,7,13-17,21H,6,8-12H2,1H3,(H,23,24).
What are the key properties of N-(2-adamantyl)-4-methyl-3,4-dihydronaphthalene-1-carboxamide?
N-(2-adamantyl)-4-methyl-3,4-dihydronaphthalene-1-carboxamide has a molecular weight of 321.46 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-4-methyl-3,4-dihydronaphthalene-1-carboxamide is sourced from PubChem (CID 59658255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).