N-benzyl-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]propanamide

C26H28N2O2 — CID 42859248

IUPACN-benzyl-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]propanamide
SMILESCCC(=O)N(Cc1ccccc1)c1cccc(CC(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C26H28N2O2/c1-3-26(30)28(19-21-11-6-4-7-12-21)24-16-10-13-22(17-24)18-25(29)27-20(2)23-14-8-5-9-15-23/h4-17,20H,3,18-19H2,1-2H3,(H,27,29)
InChIKeyHNWBKACLTGIXAC-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.05
Rot. Bonds8

About N-benzyl-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]propanamide

N-benzyl-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]propanamide (PubChem CID 42859248) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-benzyl-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]propanamide
PubChem CID42859248
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC NameN-benzyl-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]propanamide
SMILESCCC(=O)N(Cc1ccccc1)c1cccc(CC(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C26H28N2O2/c1-3-26(30)28(19-21-11-6-4-7-12-21)24-16-10-13-22(17-24)18-25(29)27-20(2)23-14-8-5-9-15-23/h4-17,20H,3,18-19H2,1-2H3,(H,27,29)
InChIKeyHNWBKACLTGIXAC-UHFFFAOYSA-N
XLogP5.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[benzyl-(2-phenoxyacetyl)amino]phenyl]-N-(1-phenylethyl)acetamide
CID 46056741
N-benzyl-4-methyl-N-[3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 93333842
N'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide
CID 108945995
(E)-N-[(4-fluorophenyl)methyl]-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]-3-phenylprop-2-enamide
CID 46056872
N-benzyl-3-methyl-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]butanamide
CID 42859236
N-benzyl-2-methyl-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]benzamide
CID 46052536
N-benzyl-N-[3-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46056426
N-benzyl-4-chloro-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987150
3-fluoro-N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987122
2-(3,4-dihydroxyphenyl)-N-(1-phenylethyl)acetamide
CID 113199018
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
N-benzyl-N-(3,4-dihydroxyphenyl)propanamide
CID 67853659

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]propanamide?
The IUPAC name of N-benzyl-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]propanamide (CID 42859248) is N-benzyl-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]propanamide.
What is the SMILES notation for N-benzyl-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]propanamide?
The canonical SMILES for N-benzyl-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]propanamide is CCC(=O)N(Cc1ccccc1)c1cccc(CC(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of N-benzyl-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]propanamide?
The InChIKey is HNWBKACLTGIXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-3-26(30)28(19-21-11-6-4-7-12-21)24-16-10-13-22(17-24)18-25(29)27-20(2)23-14-8-5-9-15-23/h4-17,20H,3,18-19H2,1-2H3,(H,27,29).
What are the key properties of N-benzyl-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]propanamide?
N-benzyl-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]propanamide has a molecular weight of 400.52 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]propanamide is sourced from PubChem (CID 42859248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).