N-(2-hydroxy-2-phenylpropyl)adamantane-1-carboxamide

C20H27NO2 — CID 56765357

IUPACN-(2-hydroxy-2-phenylpropyl)adamantane-1-carboxamide
SMILESCC(O)(CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C20H27NO2/c1-19(23,17-5-3-2-4-6-17)13-21-18(22)20-10-14-7-15(11-20)9-16(8-14)12-20/h2-6,14-16,23H,7-13H2,1H3,(H,21,22)
InChIKeyHJBVJZWZZJAWCW-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.23
Rot. Bonds4

About N-(2-hydroxy-2-phenylpropyl)adamantane-1-carboxamide

N-(2-hydroxy-2-phenylpropyl)adamantane-1-carboxamide (PubChem CID 56765357) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)adamantane-1-carboxamide
PubChem CID56765357
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-(2-hydroxy-2-phenylpropyl)adamantane-1-carboxamide
SMILESCC(O)(CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C20H27NO2/c1-19(23,17-5-3-2-4-6-17)13-21-18(22)20-10-14-7-15(11-20)9-16(8-14)12-20/h2-6,14-16,23H,7-13H2,1H3,(H,21,22)
InChIKeyHJBVJZWZZJAWCW-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantylacetyl)phenylalanine
CID 2771100
(2S)-2-(Adamantanylcarbonylamino)-3-phenylpropanoic acid
CID 510498
Benzilamide, N-(2-(diethylamino)ethyl)-
CID 97407
Benzeneacetamide, N-ethyl-alpha-hydroxy-alpha-phenyl-
CID 202245
Benzeneacetamide, alpha-hydroxy-N-(1-methylethyl)-alpha-phenyl-
CID 3043303
N-(3,3-diphenylpropyl)-2-hydroxy-2-phenylheptanamide
CID 11154247
2-hydroxy-2-phenyl-N-(2-phenylethyl)heptanamide
CID 11174765
2-hydroxy-2-phenyl-N-(3-phenylpropyl)butanamide
CID 11243450
2-hydroxy-2-phenyl-N-(3-phenylpropyl)heptanamide
CID 11427771
N-butyl-2-hydroxy-2,2-diphenylacetamide
CID 24286581
N-(3,3-Diphenyl)propyl-2-hydroxy-2,2-diphenylacetamide
CID 44578576
2-hydroxy-2-phenyl-N-(2-phenylethyl)butanamide
CID 11737661

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)adamantane-1-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)adamantane-1-carboxamide (CID 56765357) is N-(2-hydroxy-2-phenylpropyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)adamantane-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)adamantane-1-carboxamide is CC(O)(CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)adamantane-1-carboxamide?
The InChIKey is HJBVJZWZZJAWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-19(23,17-5-3-2-4-6-17)13-21-18(22)20-10-14-7-15(11-20)9-16(8-14)12-20/h2-6,14-16,23H,7-13H2,1H3,(H,21,22).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)adamantane-1-carboxamide?
N-(2-hydroxy-2-phenylpropyl)adamantane-1-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)adamantane-1-carboxamide is sourced from PubChem (CID 56765357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).