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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Related Compounds

N-[1-(methoxymethyl)cyclopentyl]-4-thiophen-2-ylbenzamide
CID 118793092
N-[[1-(ethoxymethyl)cyclobutyl]methyl]-3-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 126425050
N-[3-(1-hydroxyethyl)phenyl]-4-phenylbenzamide
CID 18552677
(1R)-1-[3-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]ethanol
CID 15321486
N-[1-(methoxymethyl)cyclopentyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97188264
N-(2-hydroxyethyl)-4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-methylbenzamide
CID 126433961
[4-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 126434214
N-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 77086056
1-[4-[3-[hydroxy(methylamino)methyl]phenyl]phenyl]propan-1-one
CID 82540284
4-(3-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)benzamide
CID 131907534
4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide
CID 126427722
methyl 2-[1-[[3-(furan-3-yl)benzoyl]amino]cyclopentyl]acetate
CID 99840211

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).