N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide

C20H29N3O2 — CID 86949500

IUPACN-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)N1CCOCC1CC(C)C
InChIInChI=1S/C20H29N3O2/c1-14(2)12-16-13-25-11-10-23(16)20(24)21-9-8-17-15(3)22-19-7-5-4-6-18(17)19/h4-7,14,16,22H,8-13H2,1-3H3,(H,21,24)
InChIKeyQGZIXWDCTAGUPJ-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.48
Rot. Bonds5

About N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide

N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide (PubChem CID 86949500) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide
PubChem CID86949500
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)N1CCOCC1CC(C)C
InChIInChI=1S/C20H29N3O2/c1-14(2)12-16-13-25-11-10-23(16)20(24)21-9-8-17-15(3)22-19-7-5-4-6-18(17)19/h4-7,14,16,22H,8-13H2,1-3H3,(H,21,24)
InChIKeyQGZIXWDCTAGUPJ-UHFFFAOYSA-N
XLogP3.48
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Luzindole
CID 122162
3-(Morpholinomethyl)indole
CID 21477
Npy5RA-972
CID 9884833
ethyl 8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylate
CID 2937007
4-(1H-indol-3-yl)-1-(morpholin-4-yl)butan-1-one
CID 645040
N-(2,3,4,9-Tetrahydro-1H-carbazol-3-YL)acetamide
CID 12361788
3-[2-((S)-2-Methoxymethyl-pyrrolidin-1-yl)-ethyl]-2-phenyl-1H-indole
CID 44324065
4-(1-ethyl-9H-carbazol-3-yl)morpholine
CID 663297
4-[2-(1H-indol-3-yl)ethyl]morpholine-3,5-dione
CID 2737834
8-fluoro-N-prop-2-enyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 2802374
1-((2-methyl-1H-indol-5-yl)methyl)-3-phenylurea
CID 5128834
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-propylurea
CID 4667208

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide?
The IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide (CID 86949500) is N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide is Cc1[nH]c2ccccc2c1CCNC(=O)N1CCOCC1CC(C)C.
What is the InChIKey of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide?
The InChIKey is QGZIXWDCTAGUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14(2)12-16-13-25-11-10-23(16)20(24)21-9-8-17-15(3)22-19-7-5-4-6-18(17)19/h4-7,14,16,22H,8-13H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide?
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide is sourced from PubChem (CID 86949500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).