N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]azetidine-2-carboxamide

C21H23N3O2 — CID 167880363

IUPACN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]azetidine-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2CCN2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H23N3O2/c1-26-15-8-6-14(7-9-15)17(12-24-21(25)20-10-11-22-20)18-13-23-19-5-3-2-4-16(18)19/h2-9,13,17,20,22-23H,10-12H2,1H3,(H,24,25)
InChIKeyXZGPNVKMJZIBQB-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.79
Rot. Bonds6

About N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]azetidine-2-carboxamide

N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]azetidine-2-carboxamide (PubChem CID 167880363) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]azetidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]azetidine-2-carboxamide
PubChem CID167880363
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]azetidine-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2CCN2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H23N3O2/c1-26-15-8-6-14(7-9-15)17(12-24-21(25)20-10-11-22-20)18-13-23-19-5-3-2-4-16(18)19/h2-9,13,17,20,22-23H,10-12H2,1H3,(H,24,25)
InChIKeyXZGPNVKMJZIBQB-UHFFFAOYSA-N
XLogP2.79
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]azetidine-2-carboxamide 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,4S)-4-hydroxy-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 124587680
(3S)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]oxolane-3-carboxamide
CID 52508334
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
3-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119681087
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
CID 4835102
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
4-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55790068
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 8558536
2-[cycloheptyl(methyl)amino]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 16577880
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 17014418
(2R)-N-cyclopropyl-2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide
CID 8644968

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]azetidine-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]azetidine-2-carboxamide (CID 167880363) is N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]azetidine-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]azetidine-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]azetidine-2-carboxamide is COc1ccc(C(CNC(=O)C2CCN2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]azetidine-2-carboxamide?
The InChIKey is XZGPNVKMJZIBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-26-15-8-6-14(7-9-15)17(12-24-21(25)20-10-11-22-20)18-13-23-19-5-3-2-4-16(18)19/h2-9,13,17,20,22-23H,10-12H2,1H3,(H,24,25).
What are the key properties of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]azetidine-2-carboxamide?
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]azetidine-2-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]azetidine-2-carboxamide is sourced from PubChem (CID 167880363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).