N-(4-tert-butylphenyl)-4-[5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]benzamide

C24H26N2O3 — CID 46208909

IUPACN-(4-tert-butylphenyl)-4-[5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]benzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(-c3ccc([C@@H](O)CO)cn3)cc2)cc1
InChIInChI=1S/C24H26N2O3/c1-24(2,3)19-9-11-20(12-10-19)26-23(29)17-6-4-16(5-7-17)21-13-8-18(14-25-21)22(28)15-27/h4-14,22,27-28H,15H2,1-3H3,(H,26,29)/t22-/m0/s1
InChIKeyWYJUZWGQTHTTHD-QFIPXVFZSA-N
MW390.48 g/mol
LogP4.32
Rot. Bonds5

About N-(4-tert-butylphenyl)-4-[5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]benzamide

N-(4-tert-butylphenyl)-4-[5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]benzamide (PubChem CID 46208909) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-[5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-[5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]benzamide
PubChem CID46208909
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-(4-tert-butylphenyl)-4-[5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]benzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(-c3ccc([C@@H](O)CO)cn3)cc2)cc1
InChIInChI=1S/C24H26N2O3/c1-24(2,3)19-9-11-20(12-10-19)26-23(29)17-6-4-16(5-7-17)21-13-8-18(14-25-21)22(28)15-27/h4-14,22,27-28H,15H2,1-3H3,(H,26,29)/t22-/m0/s1
InChIKeyWYJUZWGQTHTTHD-QFIPXVFZSA-N
XLogP4.32
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 17235324

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-[5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]benzamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-[5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]benzamide (CID 46208909) is N-(4-tert-butylphenyl)-4-[5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-[5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]benzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-[5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]benzamide is CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ccc([C@@H](O)CO)cn3)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-[5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]benzamide?
The InChIKey is WYJUZWGQTHTTHD-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-24(2,3)19-9-11-20(12-10-19)26-23(29)17-6-4-16(5-7-17)21-13-8-18(14-25-21)22(28)15-27/h4-14,22,27-28H,15H2,1-3H3,(H,26,29)/t22-/m0/s1.
What are the key properties of N-(4-tert-butylphenyl)-4-[5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]benzamide?
N-(4-tert-butylphenyl)-4-[5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]benzamide has a molecular weight of 390.48 g/mol, XLogP of 4.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-[5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 46208909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).