N-[2-(2-methylindol-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide

C23H27N3O2 — CID 90680602

IUPACN-[2-(2-methylindol-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H27N3O2/c1-18-16-21-4-2-3-5-22(21)26(18)11-10-24-23(27)20-8-6-19(7-9-20)17-25-12-14-28-15-13-25/h2-9,16H,10-15,17H2,1H3,(H,24,27)
InChIKeyZUDJZWRKWOLIHS-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.21
Rot. Bonds6

About N-[2-(2-methylindol-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide

N-[2-(2-methylindol-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 90680602) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[2-(2-methylindol-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-methylindol-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
PubChem CID90680602
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[2-(2-methylindol-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H27N3O2/c1-18-16-21-4-2-3-5-22(21)26(18)11-10-24-23(27)20-8-6-19(7-9-20)17-25-12-14-28-15-13-25/h2-9,16H,10-15,17H2,1H3,(H,24,27)
InChIKeyZUDJZWRKWOLIHS-UHFFFAOYSA-N
XLogP3.21
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide (CID 90680602) is N-[2-(2-methylindol-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(2-methylindol-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[2-(2-methylindol-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide is Cc1cc2ccccc2n1CCNC(=O)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-[2-(2-methylindol-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is ZUDJZWRKWOLIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-18-16-21-4-2-3-5-22(21)26(18)11-10-24-23(27)20-8-6-19(7-9-20)17-25-12-14-28-15-13-25/h2-9,16H,10-15,17H2,1H3,(H,24,27).
What are the key properties of N-[2-(2-methylindol-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide?
N-[2-(2-methylindol-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 377.49 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylindol-1-yl)ethyl]-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 90680602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).