2-(5-methoxy-1H-indol-3-yl)-N-(3-methoxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide

C21H21N3O4 — CID 4594533

IUPAC2-(5-methoxy-1H-indol-3-yl)-N-(3-methoxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide
SMILESCOc1cccc(NC(=O)C(c2c[nH]c3ccc(OC)cc23)N2CCC2=O)c1
InChIInChI=1S/C21H21N3O4/c1-27-14-5-3-4-13(10-14)23-21(26)20(24-9-8-19(24)25)17-12-22-18-7-6-15(28-2)11-16(17)18/h3-7,10-12,20,22H,8-9H2,1-2H3,(H,23,26)
InChIKeyNQLYRGAWLULNMU-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.10
Rot. Bonds6

About 2-(5-methoxy-1H-indol-3-yl)-N-(3-methoxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide

2-(5-methoxy-1H-indol-3-yl)-N-(3-methoxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide (PubChem CID 4594533) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-N-(3-methoxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-N-(3-methoxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide
PubChem CID4594533
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-N-(3-methoxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide
SMILESCOc1cccc(NC(=O)C(c2c[nH]c3ccc(OC)cc23)N2CCC2=O)c1
InChIInChI=1S/C21H21N3O4/c1-27-14-5-3-4-13(10-14)23-21(26)20(24-9-8-19(24)25)17-12-22-18-7-6-15(28-2)11-16(17)18/h3-7,10-12,20,22H,8-9H2,1-2H3,(H,23,26)
InChIKeyNQLYRGAWLULNMU-UHFFFAOYSA-N
XLogP3.10
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-methoxy-1H-indol-3-yl)-N-(3-methoxyphenyl)-2-(2-oxoazetidin-1-yl)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

(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-(5-methoxy-1H-indol-3-yl)acetic acid
CID 29132596
(2R)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetic acid
CID 29131719
2-(4-benzylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)acetic acid
CID 42651859
(2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 97067678
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
CID 6591303
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide
CID 22691562
5-methoxy-3-propan-2-yl-1H-indole;oxalic acid
CID 19389680
(2R)-2-(5-bromo-1H-indol-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetic acid
CID 29139189
(2R)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetic acid
CID 29131018
2,2-dichloro-N-(3-methoxyphenyl)acetamide
CID 5097021
2-(4-ethoxycarbonylpiperazin-1-yl)-2-(5-methoxy-1H-indol-3-yl)acetic acid
CID 42650234

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-(3-methoxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-(3-methoxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide (CID 4594533) is 2-(5-methoxy-1H-indol-3-yl)-N-(3-methoxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-N-(3-methoxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-N-(3-methoxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide is COc1cccc(NC(=O)C(c2c[nH]c3ccc(OC)cc23)N2CCC2=O)c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-N-(3-methoxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide?
The InChIKey is NQLYRGAWLULNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-27-14-5-3-4-13(10-14)23-21(26)20(24-9-8-19(24)25)17-12-22-18-7-6-15(28-2)11-16(17)18/h3-7,10-12,20,22H,8-9H2,1-2H3,(H,23,26).
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-N-(3-methoxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide?
2-(5-methoxy-1H-indol-3-yl)-N-(3-methoxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide has a molecular weight of 379.42 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-N-(3-methoxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide is sourced from PubChem (CID 4594533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).