(1-benzyl-4-butan-2-yloxyindol-2-yl)-pyrrolidin-1-ylmethanone

C24H28N2O2 — CID 42666991

IUPAC(1-benzyl-4-butan-2-yloxyindol-2-yl)-pyrrolidin-1-ylmethanone
SMILESCCC(C)Oc1cccc2c1cc(C(=O)N1CCCC1)n2Cc1ccccc1
InChIInChI=1S/C24H28N2O2/c1-3-18(2)28-23-13-9-12-21-20(23)16-22(24(27)25-14-7-8-15-25)26(21)17-19-10-5-4-6-11-19/h4-6,9-13,16,18H,3,7-8,14-15,17H2,1-2H3
InChIKeySGFFRHUQWQXQCO-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.10
Rot. Bonds6

About (1-benzyl-4-butan-2-yloxyindol-2-yl)-pyrrolidin-1-ylmethanone

(1-benzyl-4-butan-2-yloxyindol-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 42666991) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is (1-benzyl-4-butan-2-yloxyindol-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-benzyl-4-butan-2-yloxyindol-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID42666991
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name(1-benzyl-4-butan-2-yloxyindol-2-yl)-pyrrolidin-1-ylmethanone
SMILESCCC(C)Oc1cccc2c1cc(C(=O)N1CCCC1)n2Cc1ccccc1
InChIInChI=1S/C24H28N2O2/c1-3-18(2)28-23-13-9-12-21-20(23)16-22(24(27)25-14-7-8-15-25)26(21)17-19-10-5-4-6-11-19/h4-6,9-13,16,18H,3,7-8,14-15,17H2,1-2H3
InChIKeySGFFRHUQWQXQCO-UHFFFAOYSA-N
XLogP5.10
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-benzyl-4-[(2S)-butan-2-yl]oxyindol-2-yl]-pyrrolidin-1-ylmethanone
CID 93077137
[1-benzyl-4-[(2R)-butan-2-yl]oxyindol-2-yl]-(4-benzylpiperazin-1-yl)methanone
CID 93123879
(1-benzyl-4-butan-2-yloxyindol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42666992
[1-[(4-methylphenyl)methyl]-4-prop-2-enoxyindol-2-yl]-piperidin-1-ylmethanone
CID 42667129
(4-methylpiperidin-1-yl)-(4-phenylmethoxy-1-propylindol-2-yl)methanone
CID 42666955
methyl 1-benzyl-4-(2-hydroxyethoxy)indole-2-carboxylate
CID 18522132
[1-[(2,6-difluorophenyl)methyl]-4-prop-2-enoxyindol-2-yl]-pyrrolidin-1-ylmethanone
CID 42667209
4-ethoxy-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid
CID 42804741
(4-benzylpiperazin-1-yl)-[1-[(2,6-difluorophenyl)methyl]-4-prop-2-enoxyindol-2-yl]methanone
CID 42667216
benzyl (2R)-2-(1-benzyl-2-methylindol-4-yl)oxypropanoate
CID 10573011
1-[4-(1-benzylindole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one
CID 55923290
[4-ethoxy-1-[(2-methylphenyl)methyl]indol-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 42667282

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-4-butan-2-yloxyindol-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-benzyl-4-butan-2-yloxyindol-2-yl)-pyrrolidin-1-ylmethanone (CID 42666991) is (1-benzyl-4-butan-2-yloxyindol-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-benzyl-4-butan-2-yloxyindol-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-benzyl-4-butan-2-yloxyindol-2-yl)-pyrrolidin-1-ylmethanone is CCC(C)Oc1cccc2c1cc(C(=O)N1CCCC1)n2Cc1ccccc1.
What is the InChIKey of (1-benzyl-4-butan-2-yloxyindol-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is SGFFRHUQWQXQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-3-18(2)28-23-13-9-12-21-20(23)16-22(24(27)25-14-7-8-15-25)26(21)17-19-10-5-4-6-11-19/h4-6,9-13,16,18H,3,7-8,14-15,17H2,1-2H3.
What are the key properties of (1-benzyl-4-butan-2-yloxyindol-2-yl)-pyrrolidin-1-ylmethanone?
(1-benzyl-4-butan-2-yloxyindol-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 376.50 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-4-butan-2-yloxyindol-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42666991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).