N-[4-(2-hydroxyethyl)phenyl]-2-[(4-propan-2-ylbenzoyl)amino]benzamide

C25H26N2O3 — CID 71552206

IUPACN-[4-(2-hydroxyethyl)phenyl]-2-[(4-propan-2-ylbenzoyl)amino]benzamide
SMILESCC(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(CCO)cc2)cc1
InChIInChI=1S/C25H26N2O3/c1-17(2)19-9-11-20(12-10-19)24(29)27-23-6-4-3-5-22(23)25(30)26-21-13-7-18(8-14-21)15-16-28/h3-14,17,28H,15-16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyRFNNLTHCUFAEER-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.85
Rot. Bonds7

About N-[4-(2-hydroxyethyl)phenyl]-2-[(4-propan-2-ylbenzoyl)amino]benzamide

N-[4-(2-hydroxyethyl)phenyl]-2-[(4-propan-2-ylbenzoyl)amino]benzamide (PubChem CID 71552206) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-2-[(4-propan-2-ylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]-2-[(4-propan-2-ylbenzoyl)amino]benzamide
PubChem CID71552206
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]-2-[(4-propan-2-ylbenzoyl)amino]benzamide
SMILESCC(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(CCO)cc2)cc1
InChIInChI=1S/C25H26N2O3/c1-17(2)19-9-11-20(12-10-19)24(29)27-23-6-4-3-5-22(23)25(30)26-21-13-7-18(8-14-21)15-16-28/h3-14,17,28H,15-16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyRFNNLTHCUFAEER-UHFFFAOYSA-N
XLogP4.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]benzamide
CID 17251708
2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide
CID 62235993
3-[4-[(2-benzamidobenzoyl)amino]phenyl]propanoic acid
CID 23593002
3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid
CID 28760251
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
2-(ethylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 62171900
2-[[4-(1-hydroxyethyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 10620419
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 61221414
2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid
CID 61236618
4-[2-(methanesulfonamido)ethyl]-N-(4-propan-2-ylphenyl)benzamide
CID 27007439
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
[4-(phenylcarbamoyl)phenyl] 3-(4-propan-2-ylphenyl)propanoate
CID 19221621

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2-[(4-propan-2-ylbenzoyl)amino]benzamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2-[(4-propan-2-ylbenzoyl)amino]benzamide (CID 71552206) is N-[4-(2-hydroxyethyl)phenyl]-2-[(4-propan-2-ylbenzoyl)amino]benzamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-2-[(4-propan-2-ylbenzoyl)amino]benzamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-2-[(4-propan-2-ylbenzoyl)amino]benzamide is CC(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(CCO)cc2)cc1.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-2-[(4-propan-2-ylbenzoyl)amino]benzamide?
The InChIKey is RFNNLTHCUFAEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-17(2)19-9-11-20(12-10-19)24(29)27-23-6-4-3-5-22(23)25(30)26-21-13-7-18(8-14-21)15-16-28/h3-14,17,28H,15-16H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-2-[(4-propan-2-ylbenzoyl)amino]benzamide?
N-[4-(2-hydroxyethyl)phenyl]-2-[(4-propan-2-ylbenzoyl)amino]benzamide has a molecular weight of 402.49 g/mol, XLogP of 4.85, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]-2-[(4-propan-2-ylbenzoyl)amino]benzamide is sourced from PubChem (CID 71552206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).