4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-[1-(methoxymethyl)cyclopentyl]benzamide

C22H27NO3 — CID 126450863

IUPAC4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-[1-(methoxymethyl)cyclopentyl]benzamide
SMILESCOCC1(NC(=O)c2ccc(-c3cccc([C@H](C)O)c3)cc2)CCCC1
InChIInChI=1S/C22H27NO3/c1-16(24)19-6-5-7-20(14-19)17-8-10-18(11-9-17)21(25)23-22(15-26-2)12-3-4-13-22/h5-11,14,16,24H,3-4,12-13,15H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyWRLLUVPZOPNROV-INIZCTEOSA-N
MW353.46 g/mol
LogP4.10
Rot. Bonds6

About 4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-[1-(methoxymethyl)cyclopentyl]benzamide

4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-[1-(methoxymethyl)cyclopentyl]benzamide (PubChem CID 126450863) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-[1-(methoxymethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-[1-(methoxymethyl)cyclopentyl]benzamide
PubChem CID126450863
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-[1-(methoxymethyl)cyclopentyl]benzamide
SMILESCOCC1(NC(=O)c2ccc(-c3cccc([C@H](C)O)c3)cc2)CCCC1
InChIInChI=1S/C22H27NO3/c1-16(24)19-6-5-7-20(14-19)17-8-10-18(11-9-17)21(25)23-22(15-26-2)12-3-4-13-22/h5-11,14,16,24H,3-4,12-13,15H2,1-2H3,(H,23,25)/t16-/m0/s1
InChIKeyWRLLUVPZOPNROV-INIZCTEOSA-N
XLogP4.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-[1-(methoxymethyl)cyclopentyl]benzamide?
The IUPAC name of 4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-[1-(methoxymethyl)cyclopentyl]benzamide (CID 126450863) is 4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-[1-(methoxymethyl)cyclopentyl]benzamide.
What is the SMILES notation for 4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-[1-(methoxymethyl)cyclopentyl]benzamide?
The canonical SMILES for 4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-[1-(methoxymethyl)cyclopentyl]benzamide is COCC1(NC(=O)c2ccc(-c3cccc([C@H](C)O)c3)cc2)CCCC1.
What is the InChIKey of 4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-[1-(methoxymethyl)cyclopentyl]benzamide?
The InChIKey is WRLLUVPZOPNROV-INIZCTEOSA-N. The full InChI is InChI=1S/C22H27NO3/c1-16(24)19-6-5-7-20(14-19)17-8-10-18(11-9-17)21(25)23-22(15-26-2)12-3-4-13-22/h5-11,14,16,24H,3-4,12-13,15H2,1-2H3,(H,23,25)/t16-/m0/s1.
What are the key properties of 4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-[1-(methoxymethyl)cyclopentyl]benzamide?
4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-[1-(methoxymethyl)cyclopentyl]benzamide has a molecular weight of 353.46 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-[1-(methoxymethyl)cyclopentyl]benzamide is sourced from PubChem (CID 126450863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).