N-(2-amino-2-ethylbutyl)-2-(2-phenylmethoxyphenoxy)acetamide

C21H28N2O3 — CID 119643357

IUPACN-(2-amino-2-ethylbutyl)-2-(2-phenylmethoxyphenoxy)acetamide
SMILESCCC(N)(CC)CNC(=O)COc1ccccc1OCc1ccccc1
InChIInChI=1S/C21H28N2O3/c1-3-21(22,4-2)16-23-20(24)15-26-19-13-9-8-12-18(19)25-14-17-10-6-5-7-11-17/h5-13H,3-4,14-16,22H2,1-2H3,(H,23,24)
InChIKeyCMBVEKSNRHXPRF-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.28
Rot. Bonds10

About N-(2-amino-2-ethylbutyl)-2-(2-phenylmethoxyphenoxy)acetamide

N-(2-amino-2-ethylbutyl)-2-(2-phenylmethoxyphenoxy)acetamide (PubChem CID 119643357) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(2-phenylmethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(2-phenylmethoxyphenoxy)acetamide
PubChem CID119643357
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(2-phenylmethoxyphenoxy)acetamide
SMILESCCC(N)(CC)CNC(=O)COc1ccccc1OCc1ccccc1
InChIInChI=1S/C21H28N2O3/c1-3-21(22,4-2)16-23-20(24)15-26-19-13-9-8-12-18(19)25-14-17-10-6-5-7-11-17/h5-13H,3-4,14-16,22H2,1-2H3,(H,23,24)
InChIKeyCMBVEKSNRHXPRF-UHFFFAOYSA-N
XLogP3.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-(2-phenylphenoxy)acetamide
CID 119640180
N-(2-amino-2-ethylbutyl)-2-(2-chlorophenoxy)acetamide
CID 119641891
N-(2-amino-2-ethylbutyl)-2-naphthalen-1-yloxyacetamide
CID 119641906
N-(2-amino-2-ethylbutyl)-2-(2-phenylethoxy)acetamide
CID 119643311
N-(2-amino-2-ethylbutyl)-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride
CID 119642652
N-[3-(aminomethyl)pentan-3-yl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride
CID 119571605
N-(2-amino-2-ethylbutyl)-2-naphthalen-2-yloxyacetamide
CID 119639639
N-(2-ethyl-2-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide
CID 65113679
N-(2-amino-2-ethylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119640750
N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119642129
N-(2-amino-2-ethylbutyl)-2-ethoxybenzamide
CID 81484030
N-(2-amino-2-ethylbutyl)-2-(3,5-dichlorophenoxy)acetamide;hydrochloride
CID 119641262

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(2-phenylmethoxyphenoxy)acetamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(2-phenylmethoxyphenoxy)acetamide (CID 119643357) is N-(2-amino-2-ethylbutyl)-2-(2-phenylmethoxyphenoxy)acetamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(2-phenylmethoxyphenoxy)acetamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(2-phenylmethoxyphenoxy)acetamide is CCC(N)(CC)CNC(=O)COc1ccccc1OCc1ccccc1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(2-phenylmethoxyphenoxy)acetamide?
The InChIKey is CMBVEKSNRHXPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-3-21(22,4-2)16-23-20(24)15-26-19-13-9-8-12-18(19)25-14-17-10-6-5-7-11-17/h5-13H,3-4,14-16,22H2,1-2H3,(H,23,24).
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(2-phenylmethoxyphenoxy)acetamide?
N-(2-amino-2-ethylbutyl)-2-(2-phenylmethoxyphenoxy)acetamide has a molecular weight of 356.47 g/mol, XLogP of 3.28, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-(2-phenylmethoxyphenoxy)acetamide is sourced from PubChem (CID 119643357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).