2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide

C22H31N3O3 — CID 90607262

IUPAC2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide
SMILESCn1cc(CC(=O)N(CCN2CCOCC2)C2CCOCC2)c2ccccc21
InChIInChI=1S/C22H31N3O3/c1-23-17-18(20-4-2-3-5-21(20)23)16-22(26)25(19-6-12-27-13-7-19)9-8-24-10-14-28-15-11-24/h2-5,17,19H,6-16H2,1H3
InChIKeyMFBALWCKSNVKAO-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.06
Rot. Bonds6

About 2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide

2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide (PubChem CID 90607262) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide
PubChem CID90607262
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide
SMILESCn1cc(CC(=O)N(CCN2CCOCC2)C2CCOCC2)c2ccccc21
InChIInChI=1S/C22H31N3O3/c1-23-17-18(20-4-2-3-5-21(20)23)16-22(26)25(19-6-12-27-13-7-19)9-8-24-10-14-28-15-11-24/h2-5,17,19H,6-16H2,1H3
InChIKeyMFBALWCKSNVKAO-UHFFFAOYSA-N
XLogP2.06
TPSA46.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide (CID 90607262) is 2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide is Cn1cc(CC(=O)N(CCN2CCOCC2)C2CCOCC2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide?
The InChIKey is MFBALWCKSNVKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-23-17-18(20-4-2-3-5-21(20)23)16-22(26)25(19-6-12-27-13-7-19)9-8-24-10-14-28-15-11-24/h2-5,17,19H,6-16H2,1H3.
What are the key properties of 2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide?
2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide has a molecular weight of 385.51 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 90607262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).