2-(2,5-dimethyl-1H-indol-3-yl)-N-(1-morpholin-4-ylbutan-2-yl)acetamide

C20H29N3O2 — CID 16673953

IUPAC2-(2,5-dimethyl-1H-indol-3-yl)-N-(1-morpholin-4-ylbutan-2-yl)acetamide
SMILESCCC(CN1CCOCC1)NC(=O)Cc1c(C)[nH]c2ccc(C)cc12
InChIInChI=1S/C20H29N3O2/c1-4-16(13-23-7-9-25-10-8-23)22-20(24)12-17-15(3)21-19-6-5-14(2)11-18(17)19/h5-6,11,16,21H,4,7-10,12-13H2,1-3H3,(H,22,24)
InChIKeyPICHSNQJVGCYPJ-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.55
Rot. Bonds6

About 2-(2,5-dimethyl-1H-indol-3-yl)-N-(1-morpholin-4-ylbutan-2-yl)acetamide

2-(2,5-dimethyl-1H-indol-3-yl)-N-(1-morpholin-4-ylbutan-2-yl)acetamide (PubChem CID 16673953) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1H-indol-3-yl)-N-(1-morpholin-4-ylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1H-indol-3-yl)-N-(1-morpholin-4-ylbutan-2-yl)acetamide
PubChem CID16673953
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-(2,5-dimethyl-1H-indol-3-yl)-N-(1-morpholin-4-ylbutan-2-yl)acetamide
SMILESCCC(CN1CCOCC1)NC(=O)Cc1c(C)[nH]c2ccc(C)cc12
InChIInChI=1S/C20H29N3O2/c1-4-16(13-23-7-9-25-10-8-23)22-20(24)12-17-15(3)21-19-6-5-14(2)11-18(17)19/h5-6,11,16,21H,4,7-10,12-13H2,1-3H3,(H,22,24)
InChIKeyPICHSNQJVGCYPJ-UHFFFAOYSA-N
XLogP2.55
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505044
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2S)-1-morpholin-4-ylbutan-2-yl]acetamide
CID 51593800
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505165
2-(2-methoxy-5-methylphenyl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]acetamide
CID 51872361
2-(2,7-dimethyl-1H-indol-3-yl)-N-[(2R)-1-piperidin-1-ylbutan-2-yl]acetamide
CID 92586025
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(1-hydroxypentan-3-yl)acetamide
CID 109478715
2-(6-methyl-1-benzofuran-3-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505096
2-hydroxypropane-1,2,3-tricarboxylic acid;N-(1-pyrrolidin-1-ylbutan-2-yl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 118747336
2,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
CID 110849673
2-(6-methyl-1-benzofuran-3-yl)-N-[1-(4-methylpiperazin-1-yl)butan-2-yl]acetamide
CID 46966909
N-[1-(2-chlorophenyl)ethyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide
CID 46588719
N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-4-oxo-4-pyrrolidin-1-ylbutanehydrazide
CID 3887038

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1H-indol-3-yl)-N-(1-morpholin-4-ylbutan-2-yl)acetamide?
The IUPAC name of 2-(2,5-dimethyl-1H-indol-3-yl)-N-(1-morpholin-4-ylbutan-2-yl)acetamide (CID 16673953) is 2-(2,5-dimethyl-1H-indol-3-yl)-N-(1-morpholin-4-ylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1H-indol-3-yl)-N-(1-morpholin-4-ylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2,5-dimethyl-1H-indol-3-yl)-N-(1-morpholin-4-ylbutan-2-yl)acetamide is CCC(CN1CCOCC1)NC(=O)Cc1c(C)[nH]c2ccc(C)cc12.
What is the InChIKey of 2-(2,5-dimethyl-1H-indol-3-yl)-N-(1-morpholin-4-ylbutan-2-yl)acetamide?
The InChIKey is PICHSNQJVGCYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-4-16(13-23-7-9-25-10-8-23)22-20(24)12-17-15(3)21-19-6-5-14(2)11-18(17)19/h5-6,11,16,21H,4,7-10,12-13H2,1-3H3,(H,22,24).
What are the key properties of 2-(2,5-dimethyl-1H-indol-3-yl)-N-(1-morpholin-4-ylbutan-2-yl)acetamide?
2-(2,5-dimethyl-1H-indol-3-yl)-N-(1-morpholin-4-ylbutan-2-yl)acetamide has a molecular weight of 343.47 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1H-indol-3-yl)-N-(1-morpholin-4-ylbutan-2-yl)acetamide is sourced from PubChem (CID 16673953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).