2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide

C16H26N2O3 — CID 61486238

IUPAC2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
SMILESCCOc1cc(CN)ccc1OCC(=O)NC(C)(C)CC
InChIInChI=1S/C16H26N2O3/c1-5-16(3,4)18-15(19)11-21-13-8-7-12(10-17)9-14(13)20-6-2/h7-9H,5-6,10-11,17H2,1-4H3,(H,18,19)
InChIKeyTYOSZNQKTCCYTM-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.23
Rot. Bonds8

About 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide

2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 61486238) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
PubChem CID61486238
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
SMILESCCOc1cc(CN)ccc1OCC(=O)NC(C)(C)CC
InChIInChI=1S/C16H26N2O3/c1-5-16(3,4)18-15(19)11-21-13-8-7-12(10-17)9-14(13)20-6-2/h7-9H,5-6,10-11,17H2,1-4H3,(H,18,19)
InChIKeyTYOSZNQKTCCYTM-UHFFFAOYSA-N
XLogP2.23
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(2-ethoxyphenoxy)acetamide
CID 119522316
N-tert-butyl-2-[2-ethoxy-4-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide
CID 4722934
2-(5-amino-2-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 61486316
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methylacetamide
CID 54931035
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 103566114
N-tert-butyl-2-[2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290931
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 78932283
N-tert-butyl-2-[2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 4717022
N-carbamoyl-2-[2-ethoxy-4-(hydroxymethyl)phenoxy]acetamide
CID 28561787
2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 28967218
N-tert-butyl-2-[2-ethoxy-4-[(pyridin-4-ylmethylamino)methyl]phenoxy]acetamide;dihydrochloride
CID 163328812
N-tert-butyl-2-[4-[[2-(dimethylamino)ethylamino]methyl]-2-ethoxyphenoxy]acetamide
CID 4721024

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide (CID 61486238) is 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide is CCOc1cc(CN)ccc1OCC(=O)NC(C)(C)CC.
What is the InChIKey of 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is TYOSZNQKTCCYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-16(3,4)18-15(19)11-21-13-8-7-12(10-17)9-14(13)20-6-2/h7-9H,5-6,10-11,17H2,1-4H3,(H,18,19).
What are the key properties of 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide?
2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 294.40 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 61486238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).