(2-cyclopentylphenyl) 3-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]azetidine-1-carboxylate

C24H28N2O4 — CID 58071647

IUPAC(2-cyclopentylphenyl) 3-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]azetidine-1-carboxylate
SMILESCc1cc(CNC(=O)C2CN(C(=O)Oc3ccccc3C3CCCC3)C2)ccc1O
InChIInChI=1S/C24H28N2O4/c1-16-12-17(10-11-21(16)27)13-25-23(28)19-14-26(15-19)24(29)30-22-9-5-4-8-20(22)18-6-2-3-7-18/h4-5,8-12,18-19,27H,2-3,6-7,13-15H2,1H3,(H,25,28)
InChIKeyUQULUARKPYQFKG-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.11
Rot. Bonds5

About (2-cyclopentylphenyl) 3-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]azetidine-1-carboxylate

(2-cyclopentylphenyl) 3-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]azetidine-1-carboxylate (PubChem CID 58071647) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is (2-cyclopentylphenyl) 3-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]azetidine-1-carboxylate.

Molecular Properties

Compound Name(2-cyclopentylphenyl) 3-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]azetidine-1-carboxylate
PubChem CID58071647
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name(2-cyclopentylphenyl) 3-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]azetidine-1-carboxylate
SMILESCc1cc(CNC(=O)C2CN(C(=O)Oc3ccccc3C3CCCC3)C2)ccc1O
InChIInChI=1S/C24H28N2O4/c1-16-12-17(10-11-21(16)27)13-25-23(28)19-14-26(15-19)24(29)30-22-9-5-4-8-20(22)18-6-2-3-7-18/h4-5,8-12,18-19,27H,2-3,6-7,13-15H2,1H3,(H,25,28)
InChIKeyUQULUARKPYQFKG-UHFFFAOYSA-N
XLogP4.11
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-tert-butylcyclohexyl) 3-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]azetidine-1-carboxylate
CID 58071629
(3-propan-2-ylphenyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 58071635
(4-tert-butylcyclohexyl) 4-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 58071632
[(1R,3R)-3-methylcyclohexyl] 3-[(4-hydroxy-3-methoxyphenyl)methylcarbamoyl]azetidine-1-carboxylate
CID 70951838
2-(4-hydroxy-3-methylphenyl)-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanone
CID 124761216
1-cyclopentyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 71942205
1-[2-(2-fluorophenoxy)acetyl]-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide
CID 90512446
N-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 86931753
N-[(3-methoxy-4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51091928
N-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide
CID 121497136
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
(2-cyclobutylphenyl) acetate
CID 176943294

Frequently Asked Questions

What is the IUPAC name of (2-cyclopentylphenyl) 3-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]azetidine-1-carboxylate?
The IUPAC name of (2-cyclopentylphenyl) 3-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]azetidine-1-carboxylate (CID 58071647) is (2-cyclopentylphenyl) 3-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]azetidine-1-carboxylate.
What is the SMILES notation for (2-cyclopentylphenyl) 3-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]azetidine-1-carboxylate?
The canonical SMILES for (2-cyclopentylphenyl) 3-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]azetidine-1-carboxylate is Cc1cc(CNC(=O)C2CN(C(=O)Oc3ccccc3C3CCCC3)C2)ccc1O.
What is the InChIKey of (2-cyclopentylphenyl) 3-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]azetidine-1-carboxylate?
The InChIKey is UQULUARKPYQFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-16-12-17(10-11-21(16)27)13-25-23(28)19-14-26(15-19)24(29)30-22-9-5-4-8-20(22)18-6-2-3-7-18/h4-5,8-12,18-19,27H,2-3,6-7,13-15H2,1H3,(H,25,28).
What are the key properties of (2-cyclopentylphenyl) 3-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]azetidine-1-carboxylate?
(2-cyclopentylphenyl) 3-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]azetidine-1-carboxylate has a molecular weight of 408.50 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentylphenyl) 3-[(4-hydroxy-3-methylphenyl)methylcarbamoyl]azetidine-1-carboxylate is sourced from PubChem (CID 58071647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).