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

C19H25NO — CID 2787235

IUPACN-(2-phenylethyl)adamantane-1-carboxamide
SMILESO=C(NCCc1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H25NO/c21-18(20-7-6-14-4-2-1-3-5-14)19-11-15-8-16(12-19)10-17(9-15)13-19/h1-5,15-17H,6-13H2,(H,20,21)
InChIKeyMIMGGDFBUATHFE-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.56
Rot. Bonds4

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

N-(2-phenylethyl)adamantane-1-carboxamide (PubChem CID 2787235) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is N-(2-phenylethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)adamantane-1-carboxamide
PubChem CID2787235
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC NameN-(2-phenylethyl)adamantane-1-carboxamide
SMILESO=C(NCCc1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H25NO/c21-18(20-7-6-14-4-2-1-3-5-14)19-11-15-8-16(12-19)10-17(9-15)13-19/h1-5,15-17H,6-13H2,(H,20,21)
InChIKeyMIMGGDFBUATHFE-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)adamantane-1-carboxamide?
The IUPAC name of N-(2-phenylethyl)adamantane-1-carboxamide (CID 2787235) is N-(2-phenylethyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)adamantane-1-carboxamide?
The canonical SMILES for N-(2-phenylethyl)adamantane-1-carboxamide is O=C(NCCc1ccccc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-phenylethyl)adamantane-1-carboxamide?
The InChIKey is MIMGGDFBUATHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c21-18(20-7-6-14-4-2-1-3-5-14)19-11-15-8-16(12-19)10-17(9-15)13-19/h1-5,15-17H,6-13H2,(H,20,21).
What are the key properties of N-(2-phenylethyl)adamantane-1-carboxamide?
N-(2-phenylethyl)adamantane-1-carboxamide has a molecular weight of 283.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)adamantane-1-carboxamide is sourced from PubChem (CID 2787235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).