N-[[4-(ethoxymethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide

C16H23NO3 — CID 110014006

IUPACN-[[4-(ethoxymethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide
SMILESCCOCc1ccc(CNC(=O)C2CCCC2O)cc1
InChIInChI=1S/C16H23NO3/c1-2-20-11-13-8-6-12(7-9-13)10-17-16(19)14-4-3-5-15(14)18/h6-9,14-15,18H,2-5,10-11H2,1H3,(H,17,19)
InChIKeyOFXTWVNNDFIMMW-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.00
Rot. Bonds6

About N-[[4-(ethoxymethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide

N-[[4-(ethoxymethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110014006) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[[4-(ethoxymethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(ethoxymethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide
PubChem CID110014006
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[[4-(ethoxymethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide
SMILESCCOCc1ccc(CNC(=O)C2CCCC2O)cc1
InChIInChI=1S/C16H23NO3/c1-2-20-11-13-8-6-12(7-9-13)10-17-16(19)14-4-3-5-15(14)18/h6-9,14-15,18H,2-5,10-11H2,1H3,(H,17,19)
InChIKeyOFXTWVNNDFIMMW-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125119381
2-hydroxy-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1-carboxamide
CID 110013989
2-hydroxy-N-[[2-(propoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 110015310
(3R,4S)-N-[[4-(ethoxymethyl)phenyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120923555
2-hydroxy-N-(2-methyl-3-phenylmethoxypropyl)cyclopentane-1-carboxamide
CID 110015433
cis-(1S,2R)-2-[(4-ethylphenyl)methylcarbamoyl]cyclohexane-1-carboxylate
CID 2222028
2-hydroxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 110013970
N-[[4-(ethoxymethyl)phenyl]methyl]-2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]acetamide
CID 110016955
N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014093
2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 64823496
N-[[4-(ethoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718295
N-[(4-acetamidophenyl)methyl]-2-aminocyclopentane-1-carboxamide
CID 64822288

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide (CID 110014006) is N-[[4-(ethoxymethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[[4-(ethoxymethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[[4-(ethoxymethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide is CCOCc1ccc(CNC(=O)C2CCCC2O)cc1.
What is the InChIKey of N-[[4-(ethoxymethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is OFXTWVNNDFIMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-20-11-13-8-6-12(7-9-13)10-17-16(19)14-4-3-5-15(14)18/h6-9,14-15,18H,2-5,10-11H2,1H3,(H,17,19).
What are the key properties of N-[[4-(ethoxymethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide?
N-[[4-(ethoxymethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethoxymethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110014006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).