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

C19H25NO — CID 585639

IUPACN-(1-phenylethyl)adamantane-1-carboxamide
SMILESCC(NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C19H25NO/c1-13(17-5-3-2-4-6-17)20-18(21)19-10-14-7-15(11-19)9-16(8-14)12-19/h2-6,13-16H,7-12H2,1H3,(H,20,21)
InChIKeyOKXLRQGCBXJFEA-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.08
Rot. Bonds3

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

N-(1-phenylethyl)adamantane-1-carboxamide (PubChem CID 585639) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is N-(1-phenylethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)adamantane-1-carboxamide
PubChem CID585639
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC NameN-(1-phenylethyl)adamantane-1-carboxamide
SMILESCC(NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C19H25NO/c1-13(17-5-3-2-4-6-17)20-18(21)19-10-14-7-15(11-19)9-16(8-14)12-19/h2-6,13-16H,7-12H2,1H3,(H,20,21)
InChIKeyOKXLRQGCBXJFEA-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)adamantane-1-carboxamide?
The IUPAC name of N-(1-phenylethyl)adamantane-1-carboxamide (CID 585639) is N-(1-phenylethyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)adamantane-1-carboxamide?
The canonical SMILES for N-(1-phenylethyl)adamantane-1-carboxamide is CC(NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)adamantane-1-carboxamide?
The InChIKey is OKXLRQGCBXJFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-13(17-5-3-2-4-6-17)20-18(21)19-10-14-7-15(11-19)9-16(8-14)12-19/h2-6,13-16H,7-12H2,1H3,(H,20,21).
What are the key properties of N-(1-phenylethyl)adamantane-1-carboxamide?
N-(1-phenylethyl)adamantane-1-carboxamide has a molecular weight of 283.41 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)adamantane-1-carboxamide is sourced from PubChem (CID 585639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).