N-(2-amino-2-phenylethyl)-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride

C19H23ClN2O3 — CID 119528417

IUPACN-(2-amino-2-phenylethyl)-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride
SMILESCOc1ccc(C(=O)CCC(=O)NCC(N)c2ccccc2)cc1.Cl
InChIInChI=1S/C19H22N2O3.ClH/c1-24-16-9-7-15(8-10-16)18(22)11-12-19(23)21-13-17(20)14-5-3-2-4-6-14;/h2-10,17H,11-13,20H2,1H3,(H,21,23);1H
InChIKeyBUVXJXLJAOTCGJ-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.90
Rot. Bonds8

About N-(2-amino-2-phenylethyl)-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride

N-(2-amino-2-phenylethyl)-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride (PubChem CID 119528417) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride
PubChem CID119528417
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC NameN-(2-amino-2-phenylethyl)-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride
SMILESCOc1ccc(C(=O)CCC(=O)NCC(N)c2ccccc2)cc1.Cl
InChIInChI=1S/C19H22N2O3.ClH/c1-24-16-9-7-15(8-10-16)18(22)11-12-19(23)21-13-17(20)14-5-3-2-4-6-14;/h2-10,17H,11-13,20H2,1H3,(H,21,23);1H
InChIKeyBUVXJXLJAOTCGJ-UHFFFAOYSA-N
XLogP2.90
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-phenylethyl)-5-(4-methoxyphenyl)-5-oxopentanamide;hydrochloride
CID 119528324
N-(2-amino-2-phenylethyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 119529476
4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide
CID 110406744
N-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride
CID 119528731
4-(4-methoxyphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide
CID 49018701
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623936
N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 122190796
N-(2-amino-2-phenylethyl)-2-(4-ethoxyphenoxy)acetamide;hydrochloride
CID 119528609
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
N-(2-amino-2-phenylethyl)hexanamide
CID 55225513
N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide
CID 119529676

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride (CID 119528417) is N-(2-amino-2-phenylethyl)-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride is COc1ccc(C(=O)CCC(=O)NCC(N)c2ccccc2)cc1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride?
The InChIKey is BUVXJXLJAOTCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3.ClH/c1-24-16-9-7-15(8-10-16)18(22)11-12-19(23)21-13-17(20)14-5-3-2-4-6-14;/h2-10,17H,11-13,20H2,1H3,(H,21,23);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride?
N-(2-amino-2-phenylethyl)-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride has a molecular weight of 362.86 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 119528417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).