1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide

C24H24N2O4 — CID 71413066

IUPAC1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1cccc(C(=O)N[C@H](CO)c2ccccc2)c1
InChIInChI=1S/C24H24N2O4/c27-15-21(17-8-3-1-4-9-17)25-23(29)19-12-7-13-20(14-19)24(30)26-22(16-28)18-10-5-2-6-11-18/h1-14,21-22,27-28H,15-16H2,(H,25,29)(H,26,30)/t21-,22-/m1/s1
InChIKeyPOAMTQMILIDCPX-FGZHOGPDSA-N
MW404.47 g/mol
LogP2.61
Rot. Bonds8

About 1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide

1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide (PubChem CID 71413066) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
PubChem CID71413066
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1cccc(C(=O)N[C@H](CO)c2ccccc2)c1
InChIInChI=1S/C24H24N2O4/c27-15-21(17-8-3-1-4-9-17)25-23(29)19-12-7-13-20(14-19)24(30)26-22(16-28)18-10-5-2-6-11-18/h1-14,21-22,27-28H,15-16H2,(H,25,29)(H,26,30)/t21-,22-/m1/s1
InChIKeyPOAMTQMILIDCPX-FGZHOGPDSA-N
XLogP2.61
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
3-(difluoromethoxy)-N-(2-hydroxy-1-phenylethyl)benzamide
CID 110931053
3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103958252
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide
CID 110001668
3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772740
3-hydroxy-N-(2-hydroxy-1-phenylethyl)-4-iodobenzamide
CID 104630304
4-(hydroxymethyl)-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182295
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide
CID 63182176

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide (CID 71413066) is 1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide is O=C(N[C@H](CO)c1ccccc1)c1cccc(C(=O)N[C@H](CO)c2ccccc2)c1.
What is the InChIKey of 1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide?
The InChIKey is POAMTQMILIDCPX-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H24N2O4/c27-15-21(17-8-3-1-4-9-17)25-23(29)19-12-7-13-20(14-19)24(30)26-22(16-28)18-10-5-2-6-11-18/h1-14,21-22,27-28H,15-16H2,(H,25,29)(H,26,30)/t21-,22-/m1/s1.
What are the key properties of 1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide?
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.61, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 71413066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).