5-acetamido-1-benzyl-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide

C24H27N3O3 — CID 83279407

IUPAC5-acetamido-1-benzyl-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide
SMILESCC(=O)Nc1ccc2c(c1)cc(C(=O)NCC1(C)CCCO1)n2Cc1ccccc1
InChIInChI=1S/C24H27N3O3/c1-17(28)26-20-9-10-21-19(13-20)14-22(27(21)15-18-7-4-3-5-8-18)23(29)25-16-24(2)11-6-12-30-24/h3-5,7-10,13-14H,6,11-12,15-16H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyBSHFKOOFPPZGGU-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.95
Rot. Bonds6

About 5-acetamido-1-benzyl-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide

5-acetamido-1-benzyl-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide (PubChem CID 83279407) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 5-acetamido-1-benzyl-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-1-benzyl-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide
PubChem CID83279407
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name5-acetamido-1-benzyl-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide
SMILESCC(=O)Nc1ccc2c(c1)cc(C(=O)NCC1(C)CCCO1)n2Cc1ccccc1
InChIInChI=1S/C24H27N3O3/c1-17(28)26-20-9-10-21-19(13-20)14-22(27(21)15-18-7-4-3-5-8-18)23(29)25-16-24(2)11-6-12-30-24/h3-5,7-10,13-14H,6,11-12,15-16H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyBSHFKOOFPPZGGU-UHFFFAOYSA-N
XLogP3.95
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-1-benzyl-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide?
The IUPAC name of 5-acetamido-1-benzyl-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide (CID 83279407) is 5-acetamido-1-benzyl-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide.
What is the SMILES notation for 5-acetamido-1-benzyl-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide?
The canonical SMILES for 5-acetamido-1-benzyl-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide is CC(=O)Nc1ccc2c(c1)cc(C(=O)NCC1(C)CCCO1)n2Cc1ccccc1.
What is the InChIKey of 5-acetamido-1-benzyl-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide?
The InChIKey is BSHFKOOFPPZGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17(28)26-20-9-10-21-19(13-20)14-22(27(21)15-18-7-4-3-5-8-18)23(29)25-16-24(2)11-6-12-30-24/h3-5,7-10,13-14H,6,11-12,15-16H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 5-acetamido-1-benzyl-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide?
5-acetamido-1-benzyl-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-1-benzyl-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide is sourced from PubChem (CID 83279407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).