5-tert-butyl-2-hydroxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

C23H30N2O2 — CID 110166198

IUPAC5-tert-butyl-2-hydroxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESCC(C)(C)c1ccc(O)c(C(=O)NCc2ccc(CN3CCCC3)cc2)c1
InChIInChI=1S/C23H30N2O2/c1-23(2,3)19-10-11-21(26)20(14-19)22(27)24-15-17-6-8-18(9-7-17)16-25-12-4-5-13-25/h6-11,14,26H,4-5,12-13,15-16H2,1-3H3,(H,24,27)
InChIKeyABHFJVPRGIPESK-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.22
Rot. Bonds5

About 5-tert-butyl-2-hydroxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

5-tert-butyl-2-hydroxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 110166198) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 5-tert-butyl-2-hydroxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-tert-butyl-2-hydroxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID110166198
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name5-tert-butyl-2-hydroxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESCC(C)(C)c1ccc(O)c(C(=O)NCc2ccc(CN3CCCC3)cc2)c1
InChIInChI=1S/C23H30N2O2/c1-23(2,3)19-10-11-21(26)20(14-19)22(27)24-15-17-6-8-18(9-7-17)16-25-12-4-5-13-25/h6-11,14,26H,4-5,12-13,15-16H2,1-3H3,(H,24,27)
InChIKeyABHFJVPRGIPESK-UHFFFAOYSA-N
XLogP4.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-tert-butyl-2-hydroxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
2-hydroxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-5-propan-2-ylbenzamide
CID 110166202
4-chloro-2-fluoro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8533201
N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 131952254
5-bromo-2-fluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8545995
2,6-difluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 51232553
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-propan-2-ylsulfonylbenzamide
CID 39994391
4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 17398321
5-bromo-2-hydroxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 35979072
2-amino-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 91798076
2,4,5-trimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 38710650
(2S)-2-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 119867271

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-hydroxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 5-tert-butyl-2-hydroxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide (CID 110166198) is 5-tert-butyl-2-hydroxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-tert-butyl-2-hydroxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-tert-butyl-2-hydroxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide is CC(C)(C)c1ccc(O)c(C(=O)NCc2ccc(CN3CCCC3)cc2)c1.
What is the InChIKey of 5-tert-butyl-2-hydroxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is ABHFJVPRGIPESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-23(2,3)19-10-11-21(26)20(14-19)22(27)24-15-17-6-8-18(9-7-17)16-25-12-4-5-13-25/h6-11,14,26H,4-5,12-13,15-16H2,1-3H3,(H,24,27).
What are the key properties of 5-tert-butyl-2-hydroxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
5-tert-butyl-2-hydroxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 366.51 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-hydroxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 110166198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).