N-[2-(2-methylindol-1-yl)ethyl]-3-morpholin-4-ylbenzamide

C22H25N3O2 — CID 90680549

IUPACN-[2-(2-methylindol-1-yl)ethyl]-3-morpholin-4-ylbenzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C22H25N3O2/c1-17-15-18-5-2-3-8-21(18)25(17)10-9-23-22(26)19-6-4-7-20(16-19)24-11-13-27-14-12-24/h2-8,15-16H,9-14H2,1H3,(H,23,26)
InChIKeyZOSDNSRSQCTPID-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.22
Rot. Bonds5

About N-[2-(2-methylindol-1-yl)ethyl]-3-morpholin-4-ylbenzamide

N-[2-(2-methylindol-1-yl)ethyl]-3-morpholin-4-ylbenzamide (PubChem CID 90680549) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[2-(2-methylindol-1-yl)ethyl]-3-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[2-(2-methylindol-1-yl)ethyl]-3-morpholin-4-ylbenzamide
PubChem CID90680549
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[2-(2-methylindol-1-yl)ethyl]-3-morpholin-4-ylbenzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C22H25N3O2/c1-17-15-18-5-2-3-8-21(18)25(17)10-9-23-22(26)19-6-4-7-20(16-19)24-11-13-27-14-12-24/h2-8,15-16H,9-14H2,1H3,(H,23,26)
InChIKeyZOSDNSRSQCTPID-UHFFFAOYSA-N
XLogP3.22
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.22
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]-3-morpholin-4-ylbenzamide?
The IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-3-morpholin-4-ylbenzamide (CID 90680549) is N-[2-(2-methylindol-1-yl)ethyl]-3-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[2-(2-methylindol-1-yl)ethyl]-3-morpholin-4-ylbenzamide?
The canonical SMILES for N-[2-(2-methylindol-1-yl)ethyl]-3-morpholin-4-ylbenzamide is Cc1cc2ccccc2n1CCNC(=O)c1cccc(N2CCOCC2)c1.
What is the InChIKey of N-[2-(2-methylindol-1-yl)ethyl]-3-morpholin-4-ylbenzamide?
The InChIKey is ZOSDNSRSQCTPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-17-15-18-5-2-3-8-21(18)25(17)10-9-23-22(26)19-6-4-7-20(16-19)24-11-13-27-14-12-24/h2-8,15-16H,9-14H2,1H3,(H,23,26).
What are the key properties of N-[2-(2-methylindol-1-yl)ethyl]-3-morpholin-4-ylbenzamide?
N-[2-(2-methylindol-1-yl)ethyl]-3-morpholin-4-ylbenzamide has a molecular weight of 363.46 g/mol, XLogP of 3.22, 5 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]-3-morpholin-4-ylbenzamide is sourced from PubChem (CID 90680549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).