N-[(1S)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-methoxyphenyl)acetamide

C26H28N2O3 — CID 30126182

IUPACN-[(1S)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)N(Cc1ccccc1)[C@@H](C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C26H28N2O3/c1-19(22-13-9-14-24(16-22)27-20(2)29)28(18-21-10-5-4-6-11-21)26(30)17-23-12-7-8-15-25(23)31-3/h4-16,19H,17-18H2,1-3H3,(H,27,29)/t19-/m0/s1
InChIKeyLREOSBLWGJFZJG-IBGZPJMESA-N
MW416.52 g/mol
LogP4.99
Rot. Bonds8

About N-[(1S)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-methoxyphenyl)acetamide

N-[(1S)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-methoxyphenyl)acetamide (PubChem CID 30126182) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[(1S)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-methoxyphenyl)acetamide
PubChem CID30126182
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-[(1S)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)N(Cc1ccccc1)[C@@H](C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C26H28N2O3/c1-19(22-13-9-14-24(16-22)27-20(2)29)28(18-21-10-5-4-6-11-21)26(30)17-23-12-7-8-15-25(23)31-3/h4-16,19H,17-18H2,1-3H3,(H,27,29)/t19-/m0/s1
InChIKeyLREOSBLWGJFZJG-IBGZPJMESA-N
XLogP4.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-methylbutanamide
CID 55505497
N-[(1R)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2,3-dimethylphenoxy)acetamide
CID 41046714
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 16611716
N-[1-(3-acetamidophenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46580356
N-[3-[2-[1-(3-acetamidophenyl)ethyl-benzylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55633083
(E)-N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-phenylprop-2-enamide
CID 16583449
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(2-oxo-1-pyridinyl)propanamide
CID 86979589
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(prop-2-enoylamino)benzamide
CID 167864313
N-benzyl-2-phenyl-N-(1-phenylethyl)acetamide
CID 86229489
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55504888
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide
CID 55668527
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 43078079

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[(1S)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-methoxyphenyl)acetamide (CID 30126182) is N-[(1S)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(1S)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[(1S)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)N(Cc1ccccc1)[C@@H](C)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[(1S)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-methoxyphenyl)acetamide?
The InChIKey is LREOSBLWGJFZJG-IBGZPJMESA-N. The full InChI is InChI=1S/C26H28N2O3/c1-19(22-13-9-14-24(16-22)27-20(2)29)28(18-21-10-5-4-6-11-21)26(30)17-23-12-7-8-15-25(23)31-3/h4-16,19H,17-18H2,1-3H3,(H,27,29)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-methoxyphenyl)acetamide?
N-[(1S)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-methoxyphenyl)acetamide has a molecular weight of 416.52 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 30126182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).