N-(2-amino-2-phenylethyl)-5-(4-methoxyphenyl)-5-oxopentanamide;hydrochloride

C20H25ClN2O3 — CID 119528324

IUPACN-(2-amino-2-phenylethyl)-5-(4-methoxyphenyl)-5-oxopentanamide;hydrochloride
SMILESCOc1ccc(C(=O)CCCC(=O)NCC(N)c2ccccc2)cc1.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-25-17-12-10-16(11-13-17)19(23)8-5-9-20(24)22-14-18(21)15-6-3-2-4-7-15;/h2-4,6-7,10-13,18H,5,8-9,14,21H2,1H3,(H,22,24);1H
InChIKeyIBYOJEZPSVAFON-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.29
Rot. Bonds9

About N-(2-amino-2-phenylethyl)-5-(4-methoxyphenyl)-5-oxopentanamide;hydrochloride

N-(2-amino-2-phenylethyl)-5-(4-methoxyphenyl)-5-oxopentanamide;hydrochloride (PubChem CID 119528324) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-5-(4-methoxyphenyl)-5-oxopentanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-5-(4-methoxyphenyl)-5-oxopentanamide;hydrochloride
PubChem CID119528324
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC NameN-(2-amino-2-phenylethyl)-5-(4-methoxyphenyl)-5-oxopentanamide;hydrochloride
SMILESCOc1ccc(C(=O)CCCC(=O)NCC(N)c2ccccc2)cc1.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-25-17-12-10-16(11-13-17)19(23)8-5-9-20(24)22-14-18(21)15-6-3-2-4-7-15;/h2-4,6-7,10-13,18H,5,8-9,14,21H2,1H3,(H,22,24);1H
InChIKeyIBYOJEZPSVAFON-UHFFFAOYSA-N
XLogP3.29
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-phenylethyl)-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride
CID 119528417
N-(2-amino-2-phenylethyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 119529476
N-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 119496713
N-(2-amino-2-phenylethyl)-5-methoxypentanamide;hydrochloride
CID 119528731
N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
N-(2-amino-2-phenylethyl)-N',N'-dimethylpentanediamide;hydrochloride
CID 119527853
N-(2-amino-2-phenylethyl)hexanamide
CID 55225513
N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide
CID 47413820
N-(2-amino-2-phenylethyl)-4-(4-fluorophenoxy)butanamide
CID 119528074
4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide
CID 110406744
N-[2-(2-hydroxyphenyl)ethyl]-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110427199
5-(4-methoxyphenyl)-5-oxo-N-(2-phenoxyethoxy)pentanamide
CID 110311300

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-5-(4-methoxyphenyl)-5-oxopentanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-5-(4-methoxyphenyl)-5-oxopentanamide;hydrochloride (CID 119528324) is N-(2-amino-2-phenylethyl)-5-(4-methoxyphenyl)-5-oxopentanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-5-(4-methoxyphenyl)-5-oxopentanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-5-(4-methoxyphenyl)-5-oxopentanamide;hydrochloride is COc1ccc(C(=O)CCCC(=O)NCC(N)c2ccccc2)cc1.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-5-(4-methoxyphenyl)-5-oxopentanamide;hydrochloride?
The InChIKey is IBYOJEZPSVAFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3.ClH/c1-25-17-12-10-16(11-13-17)19(23)8-5-9-20(24)22-14-18(21)15-6-3-2-4-7-15;/h2-4,6-7,10-13,18H,5,8-9,14,21H2,1H3,(H,22,24);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-5-(4-methoxyphenyl)-5-oxopentanamide;hydrochloride?
N-(2-amino-2-phenylethyl)-5-(4-methoxyphenyl)-5-oxopentanamide;hydrochloride has a molecular weight of 376.88 g/mol, XLogP of 3.29, 9 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)-5-(4-methoxyphenyl)-5-oxopentanamide;hydrochloride is sourced from PubChem (CID 119528324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).