2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(2-chlorophenyl)acetamide;hydrochloride

C19H24Cl2N2O3 — CID 170889634

IUPAC2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(2-chlorophenyl)acetamide;hydrochloride
SMILESCCC(N)Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1.Cl
InChIInChI=1S/C19H23ClN2O3.ClH/c1-3-14(21)10-13-8-9-17(18(11-13)24-2)25-12-19(23)22-16-7-5-4-6-15(16)20;/h4-9,11,14H,3,10,12,21H2,1-2H3,(H,22,23);1H
InChIKeyCDMJHUVCSWXUBW-UHFFFAOYSA-N
MW399.32 g/mol
LogP4.07
Rot. Bonds8

About 2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(2-chlorophenyl)acetamide;hydrochloride

2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(2-chlorophenyl)acetamide;hydrochloride (PubChem CID 170889634) has the molecular formula C19H24Cl2N2O3 and a molecular weight of 399.32 g/mol. Its IUPAC name is 2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(2-chlorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(2-chlorophenyl)acetamide;hydrochloride
PubChem CID170889634
Molecular FormulaC19H24Cl2N2O3
Molecular Weight399.32 g/mol
Exact Mass398.12
IUPAC Name2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(2-chlorophenyl)acetamide;hydrochloride
SMILESCCC(N)Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1.Cl
InChIInChI=1S/C19H23ClN2O3.ClH/c1-3-14(21)10-13-8-9-17(18(11-13)24-2)25-12-19(23)22-16-7-5-4-6-15(16)20;/h4-9,11,14H,3,10,12,21H2,1-2H3,(H,22,23);1H
InChIKeyCDMJHUVCSWXUBW-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
CID 170889603
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 170891318
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-phenylphenyl)acetamide;hydrochloride
CID 170893745
2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-cyclopropylacetamide
CID 60908010
ethyl 2-[4-(2-aminobutyl)-2-methoxyphenoxy]acetate
CID 60906795
[2-(2-chloroanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907900
2-[4-[(2-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 126381244
2-[4-(2-aminobutyl)-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 170889623
2-[2-[(1S)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 78930426
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
N-(2-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2698878
N-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 923080

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(2-chlorophenyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(2-chlorophenyl)acetamide;hydrochloride (CID 170889634) is 2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(2-chlorophenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(2-chlorophenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(2-chlorophenyl)acetamide;hydrochloride is CCC(N)Cc1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1.Cl.
What is the InChIKey of 2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(2-chlorophenyl)acetamide;hydrochloride?
The InChIKey is CDMJHUVCSWXUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3.ClH/c1-3-14(21)10-13-8-9-17(18(11-13)24-2)25-12-19(23)22-16-7-5-4-6-15(16)20;/h4-9,11,14H,3,10,12,21H2,1-2H3,(H,22,23);1H.
What are the key properties of 2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(2-chlorophenyl)acetamide;hydrochloride?
2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(2-chlorophenyl)acetamide;hydrochloride has a molecular weight of 399.32 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-(2-chlorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 170889634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).