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

C19H26N2O — CID 119528854

IUPACN-(2-amino-2-phenylethyl)adamantane-2-carboxamide
SMILESNC(CNC(=O)C1C2CC3CC(C2)CC1C3)c1ccccc1
InChIInChI=1S/C19H26N2O/c20-17(14-4-2-1-3-5-14)11-21-19(22)18-15-7-12-6-13(9-15)10-16(18)8-12/h1-5,12-13,15-18H,6-11,20H2,(H,21,22)
InChIKeyUPISJVHZIVROFB-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.87
Rot. Bonds4

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

N-(2-amino-2-phenylethyl)adamantane-2-carboxamide (PubChem CID 119528854) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)adamantane-2-carboxamide
PubChem CID119528854
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-(2-amino-2-phenylethyl)adamantane-2-carboxamide
SMILESNC(CNC(=O)C1C2CC3CC(C2)CC1C3)c1ccccc1
InChIInChI=1S/C19H26N2O/c20-17(14-4-2-1-3-5-14)11-21-19(22)18-15-7-12-6-13(9-15)10-16(18)8-12/h1-5,12-13,15-18H,6-11,20H2,(H,21,22)
InChIKeyUPISJVHZIVROFB-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenethyladamantane-1-carboxamide
CID 2787235
3-(4-methylphenyl)-N-propan-2-yladamantane-1-carboxamide
CID 2882129
N~2~-(cyclohexylcarbonyl)-N-(1-phenylethyl)leucinamide
CID 16003816
N-cyclohexyl-2,2-diphenylacetamide
CID 349568
N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-phenylpropan-2-yl]adamantane-1-carboxamide;dihydrochloride
CID 10460034
N-2-adamantyl-3-phenylpropanamide
CID 874886
2-(1-adamantyl)-N-(4-fluorobenzyl)acetamide
CID 2850229
2-cyclohexyl-N-(1-phenylethyl)acetamide
CID 2912233
N~1~-2-adamantyl-N~2~-benzylglycinamide hydrochloride
CID 2941724
adamantanyl-N-(1-carbamoyl-2-phenylethyl)carboxamide
CID 2973493
N-[(4-methylphenyl)methyl]-2,2-diphenylacetamide
CID 4072950
N-cyclohexyl-2-(diethylamino)-2-(4-methylphenyl)acetamide
CID 4206052

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)adamantane-2-carboxamide?
The IUPAC name of N-(2-amino-2-phenylethyl)adamantane-2-carboxamide (CID 119528854) is N-(2-amino-2-phenylethyl)adamantane-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)adamantane-2-carboxamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)adamantane-2-carboxamide is NC(CNC(=O)C1C2CC3CC(C2)CC1C3)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)adamantane-2-carboxamide?
The InChIKey is UPISJVHZIVROFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c20-17(14-4-2-1-3-5-14)11-21-19(22)18-15-7-12-6-13(9-15)10-16(18)8-12/h1-5,12-13,15-18H,6-11,20H2,(H,21,22).
What are the key properties of N-(2-amino-2-phenylethyl)adamantane-2-carboxamide?
N-(2-amino-2-phenylethyl)adamantane-2-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)adamantane-2-carboxamide is sourced from PubChem (CID 119528854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).