1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]azetidine-3-carboxamide

C22H23N3O3 — CID 90511870

IUPAC1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]azetidine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)C2CN(C(=O)c3c[nH]c4ccccc34)C2)c1
InChIInChI=1S/C22H23N3O3/c1-28-17-6-4-5-15(11-17)9-10-23-21(26)16-13-25(14-16)22(27)19-12-24-20-8-3-2-7-18(19)20/h2-8,11-12,16,24H,9-10,13-14H2,1H3,(H,23,26)
InChIKeyYEPRTQVKNUIRDH-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.61
Rot. Bonds6

About 1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]azetidine-3-carboxamide

1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]azetidine-3-carboxamide (PubChem CID 90511870) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]azetidine-3-carboxamide
PubChem CID90511870
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]azetidine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)C2CN(C(=O)c3c[nH]c4ccccc34)C2)c1
InChIInChI=1S/C22H23N3O3/c1-28-17-6-4-5-15(11-17)9-10-23-21(26)16-13-25(14-16)22(27)19-12-24-20-8-3-2-7-18(19)20/h2-8,11-12,16,24H,9-10,13-14H2,1H3,(H,23,26)
InChIKeyYEPRTQVKNUIRDH-UHFFFAOYSA-N
XLogP2.61
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90510860
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529647
N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948641
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
N-[2-(3-methoxyphenyl)ethyl]-1-(5-nitrofuran-2-carbonyl)azetidine-3-carboxamide
CID 90512234
N-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000852
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492935
1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 113004717
(3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94178642
1-[2-(4-fluorophenyl)acetyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 113004740
N-(3-chloro-2-methylphenyl)-1-(1H-indole-3-carbonyl)azetidine-3-carboxamide
CID 90511828
4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 99559457

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]azetidine-3-carboxamide?
The IUPAC name of 1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]azetidine-3-carboxamide (CID 90511870) is 1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]azetidine-3-carboxamide?
The canonical SMILES for 1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]azetidine-3-carboxamide is COc1cccc(CCNC(=O)C2CN(C(=O)c3c[nH]c4ccccc34)C2)c1.
What is the InChIKey of 1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]azetidine-3-carboxamide?
The InChIKey is YEPRTQVKNUIRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-28-17-6-4-5-15(11-17)9-10-23-21(26)16-13-25(14-16)22(27)19-12-24-20-8-3-2-7-18(19)20/h2-8,11-12,16,24H,9-10,13-14H2,1H3,(H,23,26).
What are the key properties of 1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]azetidine-3-carboxamide?
1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]azetidine-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indole-3-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]azetidine-3-carboxamide is sourced from PubChem (CID 90511870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).