N-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride

C16H25ClN2O2 — CID 17053262

IUPACN-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCC(C)(C)NC(=O)COc1ccccc1CNC1CC1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-16(2,3)18-15(19)11-20-14-7-5-4-6-12(14)10-17-13-8-9-13;/h4-7,13,17H,8-11H2,1-3H3,(H,18,19);1H
InChIKeyVARBSWSELGKONL-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.65
Rot. Bonds6

About N-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride

N-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride (PubChem CID 17053262) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride
PubChem CID17053262
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCC(C)(C)NC(=O)COc1ccccc1CNC1CC1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-16(2,3)18-15(19)11-20-14-7-5-4-6-12(14)10-17-13-8-9-13;/h4-7,13,17H,8-11H2,1-3H3,(H,18,19);1H
InChIKeyVARBSWSELGKONL-UHFFFAOYSA-N
XLogP2.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-[2-[(cyclopentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053186
N-carbamoyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide
CID 43277404
N-tert-butyl-2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide
CID 17053479
2-[4-bromo-2-[(cycloheptylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride
CID 17053952
2-[2-[(cyclopropylamino)methyl]phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492439
N-tert-butyl-2-[2-[[(4-fluorophenyl)methylamino]methyl]phenoxy]acetamide;hydrochloride
CID 17053242
N-tert-butyl-2-[1-[(cyclooctylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053729
N-tert-butyl-2-[4-[(cyclopropylamino)methyl]-2-fluorophenoxy]acetamide
CID 107687996
N-tert-butyl-2-[2-[(2-phenylethylamino)methyl]phenoxy]acetamide
CID 17053191
2-[2-[(cyclohexylamino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 2164253
N-cyclopropyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277196
N-tert-butyl-2-(2-methoxyphenoxy)acetamide
CID 922262

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride?
The IUPAC name of N-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride (CID 17053262) is N-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride is CC(C)(C)NC(=O)COc1ccccc1CNC1CC1.Cl.
What is the InChIKey of N-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride?
The InChIKey is VARBSWSELGKONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-16(2,3)18-15(19)11-20-14-7-5-4-6-12(14)10-17-13-8-9-13;/h4-7,13,17H,8-11H2,1-3H3,(H,18,19);1H.
What are the key properties of N-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride?
N-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.65, 6 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-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 17053262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).