N-[(2-methoxyphenyl)methyl]adamantane-1-carboxamide

C19H25NO2 — CID 2841738

IUPACN-[(2-methoxyphenyl)methyl]adamantane-1-carboxamide
SMILESCOc1ccccc1CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H25NO2/c1-22-17-5-3-2-4-16(17)12-20-18(21)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-12H2,1H3,(H,20,21)
InChIKeyGHPDNRNYHCUSCJ-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.53
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]adamantane-1-carboxamide

N-[(2-methoxyphenyl)methyl]adamantane-1-carboxamide (PubChem CID 2841738) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]adamantane-1-carboxamide
PubChem CID2841738
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-[(2-methoxyphenyl)methyl]adamantane-1-carboxamide
SMILESCOc1ccccc1CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H25NO2/c1-22-17-5-3-2-4-16(17)12-20-18(21)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-12H2,1H3,(H,20,21)
InChIKeyGHPDNRNYHCUSCJ-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]adamantane-1-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]adamantane-1-carboxamide (CID 2841738) is N-[(2-methoxyphenyl)methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]adamantane-1-carboxamide is COc1ccccc1CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]adamantane-1-carboxamide?
The InChIKey is GHPDNRNYHCUSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-22-17-5-3-2-4-16(17)12-20-18(21)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-12H2,1H3,(H,20,21).
What are the key properties of N-[(2-methoxyphenyl)methyl]adamantane-1-carboxamide?
N-[(2-methoxyphenyl)methyl]adamantane-1-carboxamide has a molecular weight of 299.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]adamantane-1-carboxamide is sourced from PubChem (CID 2841738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).