N-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide

C20H21N3O3 — CID 42091850

IUPACN-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C20H21N3O3/c1-13(24)22-15-8-9-19(26-2)18(11-15)23-20(25)10-7-14-12-21-17-6-4-3-5-16(14)17/h3-6,8-9,11-12,21H,7,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyXQLJCPFIVSOSHU-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.71
Rot. Bonds6

About N-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide

N-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 42091850) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide
PubChem CID42091850
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C20H21N3O3/c1-13(24)22-15-8-9-19(26-2)18(11-15)23-20(25)10-7-14-12-21-17-6-4-3-5-16(14)17/h3-6,8-9,11-12,21H,7,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyXQLJCPFIVSOSHU-UHFFFAOYSA-N
XLogP3.71
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
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N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(1H-indol-3-yl)propanamide
CID 5213116
3-(1H-indol-3-yl)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 3972625
N-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
CID 109027566
N-(5-acetamido-2-methoxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117383
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CID 45493492
3-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyphenyl)propanamide
CID 109027558
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1H-indol-3-yl)propanamide
CID 3938486
N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide
CID 17403979
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide
CID 30371053
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide (CID 42091850) is N-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide is COc1ccc(NC(C)=O)cc1NC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is XQLJCPFIVSOSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13(24)22-15-8-9-19(26-2)18(11-15)23-20(25)10-7-14-12-21-17-6-4-3-5-16(14)17/h3-6,8-9,11-12,21H,7,10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide?
N-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 351.41 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 42091850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).