N-ethyl-2-[4-[[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]methyl]phenoxy]acetamide

C18H28N2O3 — CID 111468901

IUPACN-ethyl-2-[4-[[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]methyl]phenoxy]acetamide
SMILESCCNC(=O)COc1ccc(CNC2CCCC2(C)CO)cc1
InChIInChI=1S/C18H28N2O3/c1-3-19-17(22)12-23-15-8-6-14(7-9-15)11-20-16-5-4-10-18(16,2)13-21/h6-9,16,20-21H,3-5,10-13H2,1-2H3,(H,19,22)
InChIKeyIOTVUSKPFUEEQW-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.84
Rot. Bonds8

About N-ethyl-2-[4-[[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]methyl]phenoxy]acetamide

N-ethyl-2-[4-[[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]methyl]phenoxy]acetamide (PubChem CID 111468901) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-ethyl-2-[4-[[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]methyl]phenoxy]acetamide
PubChem CID111468901
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-ethyl-2-[4-[[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]methyl]phenoxy]acetamide
SMILESCCNC(=O)COc1ccc(CNC2CCCC2(C)CO)cc1
InChIInChI=1S/C18H28N2O3/c1-3-19-17(22)12-23-15-8-6-14(7-9-15)11-20-16-5-4-10-18(16,2)13-21/h6-9,16,20-21H,3-5,10-13H2,1-2H3,(H,19,22)
InChIKeyIOTVUSKPFUEEQW-UHFFFAOYSA-N
XLogP1.84
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[4-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]phenoxy]acetamide
CID 111440202
N-ethyl-2-[4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenoxy]acetamide
CID 111114582
2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362312
2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide
CID 24702557
1-[(4-cyanophenyl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111504585
N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 24701129
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(3-methoxyphenyl)methyl]urea
CID 111486882
2,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]cyclopentan-1-amine
CID 79860887
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide
CID 43366447
[2-[(2-methoxyphenyl)methylamino]-1-methylcyclopentyl]methanol
CID 111468885
N-[(4-cyclooctylphenyl)methyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 142212171
3-[4-[[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]methyl]-N-methylanilino]propanenitrile
CID 111468795

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]methyl]phenoxy]acetamide?
The IUPAC name of N-ethyl-2-[4-[[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]methyl]phenoxy]acetamide (CID 111468901) is N-ethyl-2-[4-[[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]methyl]phenoxy]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]methyl]phenoxy]acetamide?
The canonical SMILES for N-ethyl-2-[4-[[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]methyl]phenoxy]acetamide is CCNC(=O)COc1ccc(CNC2CCCC2(C)CO)cc1.
What is the InChIKey of N-ethyl-2-[4-[[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]methyl]phenoxy]acetamide?
The InChIKey is IOTVUSKPFUEEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-19-17(22)12-23-15-8-6-14(7-9-15)11-20-16-5-4-10-18(16,2)13-21/h6-9,16,20-21H,3-5,10-13H2,1-2H3,(H,19,22).
What are the key properties of N-ethyl-2-[4-[[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]methyl]phenoxy]acetamide?
N-ethyl-2-[4-[[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]methyl]phenoxy]acetamide has a molecular weight of 320.43 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 111468901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).