N-(2-methylphenyl)adamantane-1-carboxamide

C18H23NO — CID 5038388

IUPACN-(2-methylphenyl)adamantane-1-carboxamide
SMILESCc1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23NO/c1-12-4-2-3-5-16(12)19-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H,19,20)
InChIKeyLORYVZHISCCOSW-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.15
Rot. Bonds2

About N-(2-methylphenyl)adamantane-1-carboxamide

N-(2-methylphenyl)adamantane-1-carboxamide (PubChem CID 5038388) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(2-methylphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)adamantane-1-carboxamide
PubChem CID5038388
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-(2-methylphenyl)adamantane-1-carboxamide
SMILESCc1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H23NO/c1-12-4-2-3-5-16(12)19-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H,19,20)
InChIKeyLORYVZHISCCOSW-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 532827
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CID 67096018
N-(2-Methylphenyl)benzeneacetamide
CID 38661
2,2-Diphenylacetanilide
CID 252606
N-(3-nitrophenyl)adamantane-1-carboxamide
CID 532255
N-(2,3-dimethylphenyl)-3-phenylpropanamide
CID 795944
N-(2,3-dimethylphenyl)-2-phenylcyclopropanecarboxamide
CID 2933462
N-phenyl-2-(4-phenylphenyl)acetamide
CID 4852740
N-(2,6-Diisopropyl-phenyl)-3-oxo-4,4-diphenyl-butyramide
CID 10476844
Upcmld05admt002042
CID 316235
N-[3-(trifluoromethyl)phenyl]adamantane-1-carboxamide
CID 331255
(alphaE)-N-Phenyl-alpha-(phenylmethylene)benzeneacetamide
CID 1339487

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)adamantane-1-carboxamide?
The IUPAC name of N-(2-methylphenyl)adamantane-1-carboxamide (CID 5038388) is N-(2-methylphenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(2-methylphenyl)adamantane-1-carboxamide is Cc1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-methylphenyl)adamantane-1-carboxamide?
The InChIKey is LORYVZHISCCOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12-4-2-3-5-16(12)19-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H,19,20).
What are the key properties of N-(2-methylphenyl)adamantane-1-carboxamide?
N-(2-methylphenyl)adamantane-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 5038388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).