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

C20H25N3O3 — CID 4529456

IUPACN-cyclohexyl-2-(5-methoxy-1H-indol-3-yl)-2-(2-oxoazetidin-1-yl)acetamide
SMILESCOc1ccc2[nH]cc(C(C(=O)NC3CCCCC3)N3CCC3=O)c2c1
InChIInChI=1S/C20H25N3O3/c1-26-14-7-8-17-15(11-14)16(12-21-17)19(23-10-9-18(23)24)20(25)22-13-5-3-2-4-6-13/h7-8,11-13,19,21H,2-6,9-10H2,1H3,(H,22,25)
InChIKeyWVFLLVNNJIBFDV-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.90
Rot. Bonds5

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

N-cyclohexyl-2-(5-methoxy-1H-indol-3-yl)-2-(2-oxoazetidin-1-yl)acetamide (PubChem CID 4529456) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-cyclohexyl-2-(5-methoxy-1H-indol-3-yl)-2-(2-oxoazetidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(5-methoxy-1H-indol-3-yl)-2-(2-oxoazetidin-1-yl)acetamide
PubChem CID4529456
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-cyclohexyl-2-(5-methoxy-1H-indol-3-yl)-2-(2-oxoazetidin-1-yl)acetamide
SMILESCOc1ccc2[nH]cc(C(C(=O)NC3CCCCC3)N3CCC3=O)c2c1
InChIInChI=1S/C20H25N3O3/c1-26-14-7-8-17-15(11-14)16(12-21-17)19(23-10-9-18(23)24)20(25)22-13-5-3-2-4-6-13/h7-8,11-13,19,21H,2-6,9-10H2,1H3,(H,22,25)
InChIKeyWVFLLVNNJIBFDV-UHFFFAOYSA-N
XLogP2.90
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methoxy-1H-indol-3-yl)-N-(3-methoxyphenyl)-2-(2-oxoazetidin-1-yl)acetamide
CID 4594533
dimethyl 2-[cyclohexyl-(5-methoxy-1H-indol-3-yl)methyl]propanedioate
CID 102292347
3-[cyclohexyl(pyrrolidin-1-yl)methyl]-5-methoxy-1H-indole
CID 110453549
(3S)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxamide
CID 126522636
2-(4-benzylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)acetic acid
CID 42651859
N-cyclopentyl-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210132
(E)-N-cyclopentyl-3-(5-methoxy-1H-indol-3-yl)prop-2-enamide
CID 71468192
(S)-cyclopentyl-(5-methoxy-1H-indol-3-yl)methanamine;hydrochloride
CID 171219271
N-cyclohexyl-2-(4-methoxyphenyl)-2-piperidin-1-ylacetamide
CID 4586625
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(5-methoxy-1H-indol-3-yl)acetic acid
CID 29137086
5-methoxy-3-propan-2-yl-1H-indole;oxalic acid
CID 19389680
N-cyclohexyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203935

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(5-methoxy-1H-indol-3-yl)-2-(2-oxoazetidin-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(5-methoxy-1H-indol-3-yl)-2-(2-oxoazetidin-1-yl)acetamide (CID 4529456) is N-cyclohexyl-2-(5-methoxy-1H-indol-3-yl)-2-(2-oxoazetidin-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(5-methoxy-1H-indol-3-yl)-2-(2-oxoazetidin-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(5-methoxy-1H-indol-3-yl)-2-(2-oxoazetidin-1-yl)acetamide is COc1ccc2[nH]cc(C(C(=O)NC3CCCCC3)N3CCC3=O)c2c1.
What is the InChIKey of N-cyclohexyl-2-(5-methoxy-1H-indol-3-yl)-2-(2-oxoazetidin-1-yl)acetamide?
The InChIKey is WVFLLVNNJIBFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-26-14-7-8-17-15(11-14)16(12-21-17)19(23-10-9-18(23)24)20(25)22-13-5-3-2-4-6-13/h7-8,11-13,19,21H,2-6,9-10H2,1H3,(H,22,25).
What are the key properties of N-cyclohexyl-2-(5-methoxy-1H-indol-3-yl)-2-(2-oxoazetidin-1-yl)acetamide?
N-cyclohexyl-2-(5-methoxy-1H-indol-3-yl)-2-(2-oxoazetidin-1-yl)acetamide has a molecular weight of 355.44 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(5-methoxy-1H-indol-3-yl)-2-(2-oxoazetidin-1-yl)acetamide is sourced from PubChem (CID 4529456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).