N-(1-adamantylmethyl)naphthalene-2-carboxamide

C22H25NO — CID 4284451

IUPACN-(1-adamantylmethyl)naphthalene-2-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2c1
InChIInChI=1S/C22H25NO/c24-21(20-6-5-18-3-1-2-4-19(18)10-20)23-14-22-11-15-7-16(12-22)9-17(8-15)13-22/h1-6,10,15-17H,7-9,11-14H2,(H,23,24)
InChIKeyMXCCFQNNBCHOLG-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.79
Rot. Bonds3

About N-(1-adamantylmethyl)naphthalene-2-carboxamide

N-(1-adamantylmethyl)naphthalene-2-carboxamide (PubChem CID 4284451) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(1-adamantylmethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)naphthalene-2-carboxamide
PubChem CID4284451
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC NameN-(1-adamantylmethyl)naphthalene-2-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2c1
InChIInChI=1S/C22H25NO/c24-21(20-6-5-18-3-1-2-4-19(18)10-20)23-14-22-11-15-7-16(12-22)9-17(8-15)13-22/h1-6,10,15-17H,7-9,11-14H2,(H,23,24)
InChIKeyMXCCFQNNBCHOLG-UHFFFAOYSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-adamantylmethyl)-3-bromobenzamide
CID 4674117
N-(1-adamantylmethyl)-3-iodobenzamide
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N-(1-adamantylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3972874
N-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide
CID 4553132
N-(1-adamantylmethyl)-2-benzyl-3H-benzimidazole-5-carboxamide
CID 163397695
N-(1-adamantylmethyl)-3-(methoxymethyl)benzamide
CID 28538241
N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide
CID 111445480
N-propylnaphthalene-2-carboxamide
CID 6624536
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
3-(1-adamantylmethylcarbamoyl)-4-chlorobenzoic acid
CID 18381486
N-(1-adamantylmethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26866749
N-(1-adamantylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 27514427

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)naphthalene-2-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)naphthalene-2-carboxamide (CID 4284451) is N-(1-adamantylmethyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)naphthalene-2-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2c1.
What is the InChIKey of N-(1-adamantylmethyl)naphthalene-2-carboxamide?
The InChIKey is MXCCFQNNBCHOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c24-21(20-6-5-18-3-1-2-4-19(18)10-20)23-14-22-11-15-7-16(12-22)9-17(8-15)13-22/h1-6,10,15-17H,7-9,11-14H2,(H,23,24).
What are the key properties of N-(1-adamantylmethyl)naphthalene-2-carboxamide?
N-(1-adamantylmethyl)naphthalene-2-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 4284451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).