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

C20H27NO2 — CID 2964279

IUPACN-[1-(4-methoxyphenyl)ethyl]adamantane-1-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H27NO2/c1-13(17-3-5-18(23-2)6-4-17)21-19(22)20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,13-16H,7-12H2,1-2H3,(H,21,22)
InChIKeyFXCMJSJQHHHLPX-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.09
Rot. Bonds4

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

N-[1-(4-methoxyphenyl)ethyl]adamantane-1-carboxamide (PubChem CID 2964279) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]adamantane-1-carboxamide
PubChem CID2964279
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]adamantane-1-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H27NO2/c1-13(17-3-5-18(23-2)6-4-17)21-19(22)20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,13-16H,7-12H2,1-2H3,(H,21,22)
InChIKeyFXCMJSJQHHHLPX-UHFFFAOYSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]adamantane-1-carboxamide (CID 2964279) is N-[1-(4-methoxyphenyl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]adamantane-1-carboxamide is COc1ccc(C(C)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]adamantane-1-carboxamide?
The InChIKey is FXCMJSJQHHHLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-13(17-3-5-18(23-2)6-4-17)21-19(22)20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,13-16H,7-12H2,1-2H3,(H,21,22).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]adamantane-1-carboxamide?
N-[1-(4-methoxyphenyl)ethyl]adamantane-1-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 2964279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).