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

C18H28N2O3 — CID 111440202

IUPACN-ethyl-2-[4-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]phenoxy]acetamide
SMILESCCNC(=O)COc1ccc(CNC2CCCCC2CO)cc1
InChIInChI=1S/C18H28N2O3/c1-2-19-18(22)13-23-16-9-7-14(8-10-16)11-20-17-6-4-3-5-15(17)12-21/h7-10,15,17,20-21H,2-6,11-13H2,1H3,(H,19,22)
InChIKeyLEMCKEHIKBCZIQ-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.84
Rot. Bonds8

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

N-ethyl-2-[4-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]phenoxy]acetamide (PubChem CID 111440202) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-ethyl-2-[4-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]phenoxy]acetamide
PubChem CID111440202
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-ethyl-2-[4-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]phenoxy]acetamide
SMILESCCNC(=O)COc1ccc(CNC2CCCCC2CO)cc1
InChIInChI=1S/C18H28N2O3/c1-2-19-18(22)13-23-16-9-7-14(8-10-16)11-20-17-6-4-3-5-15(17)12-21/h7-10,15,17,20-21H,2-6,11-13H2,1H3,(H,19,22)
InChIKeyLEMCKEHIKBCZIQ-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

[2-[(4-propoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700395
N-ethyl-2-[4-[[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]methyl]phenoxy]acetamide
CID 111468901
2-(4-bromophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103798457
2-[4-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]phenyl]propanoic acid
CID 106362480
N-ethyl-3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]propanamide
CID 99611784
N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 24701129
N-ethyl-2-[4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenoxy]acetamide
CID 111114582
[2-[(4-cyclopropylphenyl)methylamino]cyclopentyl]methanol
CID 106359397
N-[(4-cyclooctylphenyl)methyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 142212171
2-[4-[(cyclohexylamino)methyl]phenoxy]acetamide
CID 2991496
N-[2-(aminomethyl)cyclopentyl]-2-(4-ethylphenoxy)acetamide
CID 119601137
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide
CID 43366447

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]phenoxy]acetamide?
The IUPAC name of N-ethyl-2-[4-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]phenoxy]acetamide (CID 111440202) is N-ethyl-2-[4-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]phenoxy]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]phenoxy]acetamide?
The canonical SMILES for N-ethyl-2-[4-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]phenoxy]acetamide is CCNC(=O)COc1ccc(CNC2CCCCC2CO)cc1.
What is the InChIKey of N-ethyl-2-[4-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]phenoxy]acetamide?
The InChIKey is LEMCKEHIKBCZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-2-19-18(22)13-23-16-9-7-14(8-10-16)11-20-17-6-4-3-5-15(17)12-21/h7-10,15,17,20-21H,2-6,11-13H2,1H3,(H,19,22).
What are the key properties of N-ethyl-2-[4-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]phenoxy]acetamide?
N-ethyl-2-[4-[[[2-(hydroxymethyl)cyclohexyl]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)cyclohexyl]amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 111440202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).