N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide

C25H26N2O3 — CID 21352752

IUPACN-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1O
InChIInChI=1S/C25H26N2O3/c1-16-9-10-18(15-22(16)28)24(30)27-21-8-6-5-7-20(21)26-23(29)17-11-13-19(14-12-17)25(2,3)4/h5-15,28H,1-4H3,(H,26,29)(H,27,30)
InChIKeyFRCDCQSRWHYWOH-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.50
Rot. Bonds4

About N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide

N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide (PubChem CID 21352752) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide
PubChem CID21352752
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1O
InChIInChI=1S/C25H26N2O3/c1-16-9-10-18(15-22(16)28)24(30)27-21-8-6-5-7-20(21)26-23(29)17-11-13-19(14-12-17)25(2,3)4/h5-15,28H,1-4H3,(H,26,29)(H,27,30)
InChIKeyFRCDCQSRWHYWOH-UHFFFAOYSA-N
XLogP5.50
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(2-iodophenyl)-4-methylbenzamide
CID 28881825
4-tert-butyl-N-(2-methylphenyl)benzamide
CID 139185103
3-hydroxy-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 103955489
3,4-dihydroxy-N-(2-methylphenyl)benzamide
CID 57150208
N-[2-(aminomethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 16772682
4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
CID 10500600
N-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide
CID 51573262
N-[2-(1-chloroethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 114304843
3-hydroxy-4-methyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600945
4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid
CID 108744180
N-[2-amino-4-(trifluoromethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 16776129
N-(5-tert-butyl-2-hydroxyphenyl)-3-fluoro-4-methylbenzamide
CID 27673068

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide (CID 21352752) is N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1O.
What is the InChIKey of N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide?
The InChIKey is FRCDCQSRWHYWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-16-9-10-18(15-22(16)28)24(30)27-21-8-6-5-7-20(21)26-23(29)17-11-13-19(14-12-17)25(2,3)4/h5-15,28H,1-4H3,(H,26,29)(H,27,30).
What are the key properties of N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide?
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide has a molecular weight of 402.49 g/mol, XLogP of 5.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 21352752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).