2-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-methylpropanamide;hydrochloride

C19H24Cl2N2O3 — CID 119317662

IUPAC2-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-methylpropanamide;hydrochloride
SMILESCC(C)(N)C(=O)NCc1ccc(OCCOc2ccc(Cl)cc2)cc1.Cl
InChIInChI=1S/C19H23ClN2O3.ClH/c1-19(2,21)18(23)22-13-14-3-7-16(8-4-14)24-11-12-25-17-9-5-15(20)6-10-17;/h3-10H,11-13,21H2,1-2H3,(H,22,23);1H
InChIKeyCGMBMCRPGIYAHG-UHFFFAOYSA-N
MW399.32 g/mol
LogP3.57
Rot. Bonds8

About 2-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-methylpropanamide;hydrochloride

2-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-methylpropanamide;hydrochloride (PubChem CID 119317662) has the molecular formula C19H24Cl2N2O3 and a molecular weight of 399.32 g/mol. Its IUPAC name is 2-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-methylpropanamide;hydrochloride
PubChem CID119317662
Molecular FormulaC19H24Cl2N2O3
Molecular Weight399.32 g/mol
Exact Mass398.12
IUPAC Name2-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-methylpropanamide;hydrochloride
SMILESCC(C)(N)C(=O)NCc1ccc(OCCOc2ccc(Cl)cc2)cc1.Cl
InChIInChI=1S/C19H23ClN2O3.ClH/c1-19(2,21)18(23)22-13-14-3-7-16(8-4-14)24-11-12-25-17-9-5-15(20)6-10-17;/h3-10H,11-13,21H2,1-2H3,(H,22,23);1H
InChIKeyCGMBMCRPGIYAHG-UHFFFAOYSA-N
XLogP3.57
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 2597715
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-(methylamino)acetamide
CID 119773408
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide
CID 20985280
N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide
CID 56922590
tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate
CID 156874052
3-chloro-N-[(4-chlorophenyl)methyl]-2,2-dimethylpropanamide
CID 19429474
4-[[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]methyl]benzoic acid
CID 28677125
2-(4-chlorophenoxy)-N-[(4-cyanophenyl)methyl]-2-methylpropanamide
CID 134035338
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119317658
2-(4-chlorophenoxy)ethyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 8915075
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 38958373
N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpropanamide
CID 61267036

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-methylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-methylpropanamide;hydrochloride (CID 119317662) is 2-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-methylpropanamide;hydrochloride is CC(C)(N)C(=O)NCc1ccc(OCCOc2ccc(Cl)cc2)cc1.Cl.
What is the InChIKey of 2-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-methylpropanamide;hydrochloride?
The InChIKey is CGMBMCRPGIYAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3.ClH/c1-19(2,21)18(23)22-13-14-3-7-16(8-4-14)24-11-12-25-17-9-5-15(20)6-10-17;/h3-10H,11-13,21H2,1-2H3,(H,22,23);1H.
What are the key properties of 2-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-methylpropanamide;hydrochloride?
2-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-methylpropanamide;hydrochloride has a molecular weight of 399.32 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 119317662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).