2-[2-[(2-methylpropylamino)methyl]phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride

C21H29ClN2O2 — CID 2979035

IUPAC2-[2-[(2-methylpropylamino)methyl]phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride
SMILESCC(C)CNCc1ccccc1OCC(=O)NCCc1ccccc1.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-17(2)14-22-15-19-10-6-7-11-20(19)25-16-21(24)23-13-12-18-8-4-3-5-9-18;/h3-11,17,22H,12-16H2,1-2H3,(H,23,24);1H
InChIKeyGBDNLSSVTFHHMR-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.59
Rot. Bonds10

About 2-[2-[(2-methylpropylamino)methyl]phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride

2-[2-[(2-methylpropylamino)methyl]phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride (PubChem CID 2979035) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is 2-[2-[(2-methylpropylamino)methyl]phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-[(2-methylpropylamino)methyl]phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride
PubChem CID2979035
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC Name2-[2-[(2-methylpropylamino)methyl]phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride
SMILESCC(C)CNCc1ccccc1OCC(=O)NCCc1ccccc1.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-17(2)14-22-15-19-10-6-7-11-20(19)25-16-21(24)23-13-12-18-8-4-3-5-9-18;/h3-11,17,22H,12-16H2,1-2H3,(H,23,24);1H
InChIKeyGBDNLSSVTFHHMR-UHFFFAOYSA-N
XLogP3.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 63062212
2-(2-benzylphenoxy)-N-(2-methylpropyl)acetamide
CID 112779271
2-[2-[(2-phenylethylamino)methyl]phenoxy]acetic acid;hydrochloride
CID 163331581
N-tert-butyl-2-[2-[(2-phenylethylamino)methyl]phenoxy]acetamide
CID 17053191
2-[2-[(2-hydroxypropylamino)methyl]phenoxy]-N-methylacetamide
CID 47397786
2-[4-bromo-2-(propylaminomethyl)phenoxy]-N-(2-phenylethyl)acetamide
CID 7027059
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
2-[2-(ethylaminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 61487799
N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]-3-methylbutanamide
CID 108538543
N-[[2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 61222098
N-(2-cyanoethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide
CID 60881968
2-[2-(methylaminomethyl)phenoxy]-N-propylacetamide
CID 43277187

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropylamino)methyl]phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-[(2-methylpropylamino)methyl]phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride (CID 2979035) is 2-[2-[(2-methylpropylamino)methyl]phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-[(2-methylpropylamino)methyl]phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-[(2-methylpropylamino)methyl]phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride is CC(C)CNCc1ccccc1OCC(=O)NCCc1ccccc1.Cl.
What is the InChIKey of 2-[2-[(2-methylpropylamino)methyl]phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride?
The InChIKey is GBDNLSSVTFHHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2.ClH/c1-17(2)14-22-15-19-10-6-7-11-20(19)25-16-21(24)23-13-12-18-8-4-3-5-9-18;/h3-11,17,22H,12-16H2,1-2H3,(H,23,24);1H.
What are the key properties of 2-[2-[(2-methylpropylamino)methyl]phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride?
2-[2-[(2-methylpropylamino)methyl]phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride has a molecular weight of 376.93 g/mol, XLogP of 3.59, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropylamino)methyl]phenoxy]-N-(2-phenylethyl)acetamide;hydrochloride is sourced from PubChem (CID 2979035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).