N-(5-acetamido-2-methoxyphenyl)-2-(1-benzylindol-3-yl)acetamide

C26H25N3O3 — CID 16820622

IUPACN-(5-acetamido-2-methoxyphenyl)-2-(1-benzylindol-3-yl)acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)Cc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C26H25N3O3/c1-18(30)27-21-12-13-25(32-2)23(15-21)28-26(31)14-20-17-29(16-19-8-4-3-5-9-19)24-11-7-6-10-22(20)24/h3-13,15,17H,14,16H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyMNVCPDBQBRUKEW-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.84
Rot. Bonds7

About N-(5-acetamido-2-methoxyphenyl)-2-(1-benzylindol-3-yl)acetamide

N-(5-acetamido-2-methoxyphenyl)-2-(1-benzylindol-3-yl)acetamide (PubChem CID 16820622) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-(1-benzylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-(1-benzylindol-3-yl)acetamide
PubChem CID16820622
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-(1-benzylindol-3-yl)acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)Cc1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C26H25N3O3/c1-18(30)27-21-12-13-25(32-2)23(15-21)28-26(31)14-20-17-29(16-19-8-4-3-5-9-19)24-11-7-6-10-22(20)24/h3-13,15,17H,14,16H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyMNVCPDBQBRUKEW-UHFFFAOYSA-N
XLogP4.84
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide
CID 41133307
2-(1-benzylindol-3-yl)-N-methylacetamide
CID 13010553
3-(1-benzylindol-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 4616420
N-(5-acetamido-2-methoxyphenyl)-2-(4-methylphenyl)acetamide
CID 17432370
N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
CID 43236542
N-(5-acetamido-2-methoxyphenyl)-2-(2-benzylphenoxy)acetamide
CID 7925379
N-(3-acetamido-4-methoxyphenyl)-2-(3-chlorophenyl)acetamide
CID 110778435
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
N-[(1-benzylindol-3-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 124818287
N-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide
CID 17457964
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(3-methylphenyl)acetamide
CID 41108967
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate
CID 9016443

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(1-benzylindol-3-yl)acetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(1-benzylindol-3-yl)acetamide (CID 16820622) is N-(5-acetamido-2-methoxyphenyl)-2-(1-benzylindol-3-yl)acetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-(1-benzylindol-3-yl)acetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-(1-benzylindol-3-yl)acetamide is COc1ccc(NC(C)=O)cc1NC(=O)Cc1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-(1-benzylindol-3-yl)acetamide?
The InChIKey is MNVCPDBQBRUKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-18(30)27-21-12-13-25(32-2)23(15-21)28-26(31)14-20-17-29(16-19-8-4-3-5-9-19)24-11-7-6-10-22(20)24/h3-13,15,17H,14,16H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-(1-benzylindol-3-yl)acetamide?
N-(5-acetamido-2-methoxyphenyl)-2-(1-benzylindol-3-yl)acetamide has a molecular weight of 427.50 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-(1-benzylindol-3-yl)acetamide is sourced from PubChem (CID 16820622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).