N-(2-amino-2-phenylethyl)-4-(4-ethoxyphenyl)-4-oxobutanamide

C20H24N2O3 — CID 119529476

IUPACN-(2-amino-2-phenylethyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)NCC(N)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-2-25-17-10-8-16(9-11-17)19(23)12-13-20(24)22-14-18(21)15-6-4-3-5-7-15/h3-11,18H,2,12-14,21H2,1H3,(H,22,24)
InChIKeyUDRLUDSDZMJQGV-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.86
Rot. Bonds9

About N-(2-amino-2-phenylethyl)-4-(4-ethoxyphenyl)-4-oxobutanamide

N-(2-amino-2-phenylethyl)-4-(4-ethoxyphenyl)-4-oxobutanamide (PubChem CID 119529476) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-4-(4-ethoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
PubChem CID119529476
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-(2-amino-2-phenylethyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)NCC(N)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-2-25-17-10-8-16(9-11-17)19(23)12-13-20(24)22-14-18(21)15-6-4-3-5-7-15/h3-11,18H,2,12-14,21H2,1H3,(H,22,24)
InChIKeyUDRLUDSDZMJQGV-UHFFFAOYSA-N
XLogP2.86
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.86
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)-2-(4-ethoxyphenoxy)acetamide;hydrochloride
CID 119528609
N-(2-amino-2-phenylethyl)-5-(4-methoxyphenyl)-5-oxopentanamide;hydrochloride
CID 119528324
4-(4-ethoxyphenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide
CID 120828081
N-[2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 134046513
N-[2-(3-chlorophenyl)-2-hydroxyethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 42959835
4-(4-ethoxyphenyl)-4-oxo-N'-phenylbutanehydrazide
CID 78774846
4-(4-ethoxyphenyl)-4-oxo-N-(3-phenylprop-2-ynyl)butanamide
CID 51332500
4-(4-ethoxyphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-oxobutanamide
CID 51951673
N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
CID 78781257
N-(2-amino-2-phenylethyl)-4-(4-fluorophenoxy)butanamide
CID 119528074

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-4-(4-ethoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-4-(4-ethoxyphenyl)-4-oxobutanamide (CID 119529476) is N-(2-amino-2-phenylethyl)-4-(4-ethoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-4-(4-ethoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-4-(4-ethoxyphenyl)-4-oxobutanamide is CCOc1ccc(C(=O)CCC(=O)NCC(N)c2ccccc2)cc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-4-(4-ethoxyphenyl)-4-oxobutanamide?
The InChIKey is UDRLUDSDZMJQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-25-17-10-8-16(9-11-17)19(23)12-13-20(24)22-14-18(21)15-6-4-3-5-7-15/h3-11,18H,2,12-14,21H2,1H3,(H,22,24).
What are the key properties of N-(2-amino-2-phenylethyl)-4-(4-ethoxyphenyl)-4-oxobutanamide?
N-(2-amino-2-phenylethyl)-4-(4-ethoxyphenyl)-4-oxobutanamide has a molecular weight of 340.42 g/mol, XLogP of 2.86, 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)-4-(4-ethoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 119529476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).