N-[(4-methoxyphenyl)methyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]butanamide

C28H32N2O3 — CID 133238726

IUPACN-[(4-methoxyphenyl)methyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]butanamide
SMILESCCCC(=O)N(Cc1ccc(OC)cc1)C(C(=O)NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C28H32N2O3/c1-3-10-26(31)30(21-23-15-17-25(33-2)18-16-23)27(24-13-8-5-9-14-24)28(32)29-20-19-22-11-6-4-7-12-22/h4-9,11-18,27H,3,10,19-21H2,1-2H3,(H,29,32)
InChIKeyXSFNTTKCORWZPI-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.92
Rot. Bonds11

About N-[(4-methoxyphenyl)methyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]butanamide

N-[(4-methoxyphenyl)methyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]butanamide (PubChem CID 133238726) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]butanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]butanamide
PubChem CID133238726
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]butanamide
SMILESCCCC(=O)N(Cc1ccc(OC)cc1)C(C(=O)NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C28H32N2O3/c1-3-10-26(31)30(21-23-15-17-25(33-2)18-16-23)27(24-13-8-5-9-14-24)28(32)29-20-19-22-11-6-4-7-12-22/h4-9,11-18,27H,3,10,19-21H2,1-2H3,(H,29,32)
InChIKeyXSFNTTKCORWZPI-UHFFFAOYSA-N
XLogP4.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238791
2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide
CID 133237038
N-[(4-methoxyphenyl)methyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]butanamide
CID 133238737
N-butyl-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238775
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213632
N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-1-phenylethyl]-N-[(4-methoxyphenyl)methyl]butanamide
CID 133238734
2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-2-(4-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 86810141
2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide
CID 133213644
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-2-phenylacetamide
CID 133238879
N-[1-(3-hydroxypropylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(4-methoxyphenyl)methyl]butanamide
CID 133236541
N-[(4-chlorophenyl)methyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]butanamide
CID 133237635
N-[(4-methoxyphenyl)methyl]-N-[2-oxo-2-(pentylamino)-1-phenylethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 133238523

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]butanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]butanamide (CID 133238726) is N-[(4-methoxyphenyl)methyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]butanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]butanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]butanamide is CCCC(=O)N(Cc1ccc(OC)cc1)C(C(=O)NCCc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]butanamide?
The InChIKey is XSFNTTKCORWZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-3-10-26(31)30(21-23-15-17-25(33-2)18-16-23)27(24-13-8-5-9-14-24)28(32)29-20-19-22-11-6-4-7-12-22/h4-9,11-18,27H,3,10,19-21H2,1-2H3,(H,29,32).
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]butanamide?
N-[(4-methoxyphenyl)methyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]butanamide has a molecular weight of 444.58 g/mol, XLogP of 4.92, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]butanamide is sourced from PubChem (CID 133238726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).