N-tert-butyl-2-[2-[(2-phenylethylamino)methyl]phenoxy]acetamide

C21H28N2O2 — CID 17053191

IUPACN-tert-butyl-2-[2-[(2-phenylethylamino)methyl]phenoxy]acetamide
SMILESCC(C)(C)NC(=O)COc1ccccc1CNCCc1ccccc1
InChIInChI=1S/C21H28N2O2/c1-21(2,3)23-20(24)16-25-19-12-8-7-11-18(19)15-22-14-13-17-9-5-4-6-10-17/h4-12,22H,13-16H2,1-3H3,(H,23,24)
InChIKeyWJVQGICVCYXETN-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.31
Rot. Bonds8

About N-tert-butyl-2-[2-[(2-phenylethylamino)methyl]phenoxy]acetamide

N-tert-butyl-2-[2-[(2-phenylethylamino)methyl]phenoxy]acetamide (PubChem CID 17053191) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-tert-butyl-2-[2-[(2-phenylethylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-[(2-phenylethylamino)methyl]phenoxy]acetamide
PubChem CID17053191
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-tert-butyl-2-[2-[(2-phenylethylamino)methyl]phenoxy]acetamide
SMILESCC(C)(C)NC(=O)COc1ccccc1CNCCc1ccccc1
InChIInChI=1S/C21H28N2O2/c1-21(2,3)23-20(24)16-25-19-12-8-7-11-18(19)15-22-14-13-17-9-5-4-6-10-17/h4-12,22H,13-16H2,1-3H3,(H,23,24)
InChIKeyWJVQGICVCYXETN-UHFFFAOYSA-N
XLogP3.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-phenylethylamino)methyl]phenoxy]acetic acid;hydrochloride
CID 163331581
N-tert-butyl-2-[2-[[(4-fluorophenyl)methylamino]methyl]phenoxy]acetamide;hydrochloride
CID 17053242
N-tert-butyl-2-[4-chloro-2-[[2-(4-fluorophenyl)ethylamino]methyl]phenoxy]acetamide
CID 17054171
N-tert-butyl-2-[2-methoxy-6-[[2-(4-methoxyphenyl)ethylamino]methyl]phenoxy]acetamide
CID 17053447
2-[2-[(2-methylpropylamino)methyl]phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride
CID 2979035
2-[2-[(benzylamino)methyl]-4-bromophenoxy]-N-tert-butylacetamide
CID 17053851
3-[[2-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylamino]-4-methylbenzoic acid
CID 17058333
2-[4-bromo-2-[[2-(4-methoxyphenyl)ethylamino]methyl]phenoxy]-N-tert-butylacetamide
CID 17053929
2-[2-[(benzylamino)methyl]-4-chlorophenoxy]-N-tert-butylacetamide;hydrochloride
CID 17054094
2-[2-[(1,3-benzodioxol-5-ylmethylamino)methyl]phenoxy]-N-tert-butylacetamide
CID 17053223
N-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053262
N-tert-butyl-2-[2-[(cyclopentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053186

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-[(2-phenylethylamino)methyl]phenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[2-[(2-phenylethylamino)methyl]phenoxy]acetamide (CID 17053191) is N-tert-butyl-2-[2-[(2-phenylethylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-[(2-phenylethylamino)methyl]phenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-[(2-phenylethylamino)methyl]phenoxy]acetamide is CC(C)(C)NC(=O)COc1ccccc1CNCCc1ccccc1.
What is the InChIKey of N-tert-butyl-2-[2-[(2-phenylethylamino)methyl]phenoxy]acetamide?
The InChIKey is WJVQGICVCYXETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-21(2,3)23-20(24)16-25-19-12-8-7-11-18(19)15-22-14-13-17-9-5-4-6-10-17/h4-12,22H,13-16H2,1-3H3,(H,23,24).
What are the key properties of N-tert-butyl-2-[2-[(2-phenylethylamino)methyl]phenoxy]acetamide?
N-tert-butyl-2-[2-[(2-phenylethylamino)methyl]phenoxy]acetamide has a molecular weight of 340.47 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-[(2-phenylethylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 17053191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).