2-[4-(aminomethyl)phenoxy]-N-methyl-N-(oxan-2-ylmethyl)acetamide

C16H24N2O3 — CID 61430922

IUPAC2-[4-(aminomethyl)phenoxy]-N-methyl-N-(oxan-2-ylmethyl)acetamide
SMILESCN(CC1CCCCO1)C(=O)COc1ccc(CN)cc1
InChIInChI=1S/C16H24N2O3/c1-18(11-15-4-2-3-9-20-15)16(19)12-21-14-7-5-13(10-17)6-8-14/h5-8,15H,2-4,9-12,17H2,1H3
InChIKeyIKMNCBNZITVTAI-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.55
Rot. Bonds6

About 2-[4-(aminomethyl)phenoxy]-N-methyl-N-(oxan-2-ylmethyl)acetamide

2-[4-(aminomethyl)phenoxy]-N-methyl-N-(oxan-2-ylmethyl)acetamide (PubChem CID 61430922) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-N-methyl-N-(oxan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-N-methyl-N-(oxan-2-ylmethyl)acetamide
PubChem CID61430922
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[4-(aminomethyl)phenoxy]-N-methyl-N-(oxan-2-ylmethyl)acetamide
SMILESCN(CC1CCCCO1)C(=O)COc1ccc(CN)cc1
InChIInChI=1S/C16H24N2O3/c1-18(11-15-4-2-3-9-20-15)16(19)12-21-14-7-5-13(10-17)6-8-14/h5-8,15H,2-4,9-12,17H2,1H3
InChIKeyIKMNCBNZITVTAI-UHFFFAOYSA-N
XLogP1.55
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733141
4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 43591832
2-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide
CID 62498545
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40850277
2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 61430867
2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40841722
3-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)propanamide
CID 61436237
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]propanamide
CID 42095937
2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
CID 43263738
N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylmethoxybenzamide
CID 96998228
2-(4-cyanophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide
CID 61344785
N-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 42387343

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-methyl-N-(oxan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-methyl-N-(oxan-2-ylmethyl)acetamide (CID 61430922) is 2-[4-(aminomethyl)phenoxy]-N-methyl-N-(oxan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-N-methyl-N-(oxan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-N-methyl-N-(oxan-2-ylmethyl)acetamide is CN(CC1CCCCO1)C(=O)COc1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-N-methyl-N-(oxan-2-ylmethyl)acetamide?
The InChIKey is IKMNCBNZITVTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-18(11-15-4-2-3-9-20-15)16(19)12-21-14-7-5-13(10-17)6-8-14/h5-8,15H,2-4,9-12,17H2,1H3.
What are the key properties of 2-[4-(aminomethyl)phenoxy]-N-methyl-N-(oxan-2-ylmethyl)acetamide?
2-[4-(aminomethyl)phenoxy]-N-methyl-N-(oxan-2-ylmethyl)acetamide has a molecular weight of 292.38 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenoxy]-N-methyl-N-(oxan-2-ylmethyl)acetamide is sourced from PubChem (CID 61430922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).