N-[1-(4-methylphenyl)ethyl]adamantane-1-carboxamide

C20H27NO — CID 2964275

IUPACN-[1-(4-methylphenyl)ethyl]adamantane-1-carboxamide
SMILESCc1ccc(C(C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H27NO/c1-13-3-5-18(6-4-13)14(2)21-19(22)20-10-15-7-16(11-20)9-17(8-15)12-20/h3-6,14-17H,7-12H2,1-2H3,(H,21,22)
InChIKeyJHPFVPSTGXSVEM-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.39
Rot. Bonds3

About N-[1-(4-methylphenyl)ethyl]adamantane-1-carboxamide

N-[1-(4-methylphenyl)ethyl]adamantane-1-carboxamide (PubChem CID 2964275) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethyl]adamantane-1-carboxamide
PubChem CID2964275
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN-[1-(4-methylphenyl)ethyl]adamantane-1-carboxamide
SMILESCc1ccc(C(C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H27NO/c1-13-3-5-18(6-4-13)14(2)21-19(22)20-10-15-7-16(11-20)9-17(8-15)12-20/h3-6,14-17H,7-12H2,1-2H3,(H,21,22)
InChIKeyJHPFVPSTGXSVEM-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)ethyl]adamantane-1-carboxamide (CID 2964275) is N-[1-(4-methylphenyl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)ethyl]adamantane-1-carboxamide is Cc1ccc(C(C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethyl]adamantane-1-carboxamide?
The InChIKey is JHPFVPSTGXSVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-13-3-5-18(6-4-13)14(2)21-19(22)20-10-15-7-16(11-20)9-17(8-15)12-20/h3-6,14-17H,7-12H2,1-2H3,(H,21,22).
What are the key properties of N-[1-(4-methylphenyl)ethyl]adamantane-1-carboxamide?
N-[1-(4-methylphenyl)ethyl]adamantane-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 2964275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).