N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide

C24H21NO2 — CID 101341857

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C24H21NO2/c26-16-23(12-17-6-2-1-3-7-17)25-24(27)21-11-10-20-13-18-8-4-5-9-19(18)14-22(20)15-21/h1-11,13-15,23,26H,12,16H2,(H,25,27)/t23-/m0/s1
InChIKeyWQVHDFKPTUQZSQ-QHCPKHFHSA-N
MW355.44 g/mol
LogP4.33
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide (PubChem CID 101341857) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide
PubChem CID101341857
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C24H21NO2/c26-16-23(12-17-6-2-1-3-7-17)25-24(27)21-11-10-20-13-18-8-4-5-9-19(18)14-22(20)15-21/h1-11,13-15,23,26H,12,16H2,(H,25,27)/t23-/m0/s1
InChIKeyWQVHDFKPTUQZSQ-QHCPKHFHSA-N
XLogP4.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
3,4-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102103629
3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861182
3-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260610
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide
CID 107861091
2,6-dichloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673888
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 39086919
3-amino-4-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107860609
4-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbenzamide
CID 115874287
3-chloro-4-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 82877236
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide
CID 107861214
(3R)-4-(3-fluorophenyl)-3-(naphthalene-2-carbonylamino)butanoic acid
CID 46884011

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide (CID 101341857) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide is O=C(N[C@H](CO)Cc1ccccc1)c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide?
The InChIKey is WQVHDFKPTUQZSQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H21NO2/c26-16-23(12-17-6-2-1-3-7-17)25-24(27)21-11-10-20-13-18-8-4-5-9-19(18)14-22(20)15-21/h1-11,13-15,23,26H,12,16H2,(H,25,27)/t23-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide is sourced from PubChem (CID 101341857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).