N-[(1S)-2-hydroxy-1-phenylethyl]adamantane-1-carboxamide

C19H25NO2 — CID 110001874

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]adamantane-1-carboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H25NO2/c21-12-17(16-4-2-1-3-5-16)20-18(22)19-9-13-6-14(10-19)8-15(7-13)11-19/h1-5,13-15,17,21H,6-12H2,(H,20,22)/t13?,14?,15?,17-,19?/m1/s1
InChIKeyWCULVSGXLZMRBS-MUGCCGGLSA-N
MW299.41 g/mol
LogP3.05
Rot. Bonds4

About N-[(1S)-2-hydroxy-1-phenylethyl]adamantane-1-carboxamide

N-[(1S)-2-hydroxy-1-phenylethyl]adamantane-1-carboxamide (PubChem CID 110001874) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]adamantane-1-carboxamide
PubChem CID110001874
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]adamantane-1-carboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H25NO2/c21-12-17(16-4-2-1-3-5-16)20-18(22)19-9-13-6-14(10-19)8-15(7-13)11-19/h1-5,13-15,17,21H,6-12H2,(H,20,22)/t13?,14?,15?,17-,19?/m1/s1
InChIKeyWCULVSGXLZMRBS-MUGCCGGLSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[(1R)-2-hydroxy-1-phenylethyl]cyclobutane-1-carboxamide
CID 114010313
N-[(R)-[4-(hydroxycarbamoyl)phenyl]-phenylmethyl]adamantane-1-carboxamide
CID 87384200
N-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide
CID 65315657
3-(adamantane-1-carbonylamino)-3-(4-ethoxyphenyl)propanoic acid
CID 5197400
methyl 3-[(3-bromoadamantane-1-carbonyl)amino]-3-phenylpropanoate
CID 55454570
N-[(1R)-2-hydroxy-1-phenylethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 50984628
(3S)-3-(adamantane-1-carbonylamino)-3-(4-ethoxyphenyl)propanoate
CID 7291562
(3S)-3-(adamantane-1-carbonylamino)-3-(4-propan-2-yloxyphenyl)propanoate
CID 7291554
(3R)-3-(adamantane-1-carbonylamino)-3-(4-ethoxyphenyl)propanoate
CID 7291560
N-[4-(benzhydrylamino)-4-oxobutyl]adamantane-1-carboxamide
CID 9398026
methyl (2S)-2-(adamantane-1-carbonylamino)-3-phenylpropanoate
CID 7116346
4-amino-N-[(1R)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 103951352

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]adamantane-1-carboxamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]adamantane-1-carboxamide (CID 110001874) is N-[(1S)-2-hydroxy-1-phenylethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]adamantane-1-carboxamide is O=C(N[C@H](CO)c1ccccc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]adamantane-1-carboxamide?
The InChIKey is WCULVSGXLZMRBS-MUGCCGGLSA-N. The full InChI is InChI=1S/C19H25NO2/c21-12-17(16-4-2-1-3-5-16)20-18(22)19-9-13-6-14(10-19)8-15(7-13)11-19/h1-5,13-15,17,21H,6-12H2,(H,20,22)/t13?,14?,15?,17-,19?/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]adamantane-1-carboxamide?
N-[(1S)-2-hydroxy-1-phenylethyl]adamantane-1-carboxamide has a molecular weight of 299.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]adamantane-1-carboxamide is sourced from PubChem (CID 110001874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).