3-[3-[[[1-[ethyl(methyl)amino]cyclohexyl]methylamino]methyl]indol-1-yl]propanamide

C22H34N4O — CID 46989963

IUPAC3-[3-[[[1-[ethyl(methyl)amino]cyclohexyl]methylamino]methyl]indol-1-yl]propanamide
SMILESCCN(C)C1(CNCc2cn(CCC(N)=O)c3ccccc23)CCCCC1
InChIInChI=1S/C22H34N4O/c1-3-25(2)22(12-7-4-8-13-22)17-24-15-18-16-26(14-11-21(23)27)20-10-6-5-9-19(18)20/h5-6,9-10,16,24H,3-4,7-8,11-15,17H2,1-2H3,(H2,23,27)
InChIKeyAXKCDMRLSSTFKG-UHFFFAOYSA-N
MW370.54 g/mol
LogP3.26
Rot. Bonds9

About 3-[3-[[[1-[ethyl(methyl)amino]cyclohexyl]methylamino]methyl]indol-1-yl]propanamide

3-[3-[[[1-[ethyl(methyl)amino]cyclohexyl]methylamino]methyl]indol-1-yl]propanamide (PubChem CID 46989963) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is 3-[3-[[[1-[ethyl(methyl)amino]cyclohexyl]methylamino]methyl]indol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-[[[1-[ethyl(methyl)amino]cyclohexyl]methylamino]methyl]indol-1-yl]propanamide
PubChem CID46989963
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC Name3-[3-[[[1-[ethyl(methyl)amino]cyclohexyl]methylamino]methyl]indol-1-yl]propanamide
SMILESCCN(C)C1(CNCc2cn(CCC(N)=O)c3ccccc23)CCCCC1
InChIInChI=1S/C22H34N4O/c1-3-25(2)22(12-7-4-8-13-22)17-24-15-18-16-26(14-11-21(23)27)20-10-6-5-9-19(18)20/h5-6,9-10,16,24H,3-4,7-8,11-15,17H2,1-2H3,(H2,23,27)
InChIKeyAXKCDMRLSSTFKG-UHFFFAOYSA-N
XLogP3.26
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-[[[1-[ethyl(methyl)amino]cyclohexyl]methylamino]methyl]indol-1-yl]propanamide 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

2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409295
3-[3-(2-aminoethyl)indol-1-yl]propanamide
CID 55164863
3-[3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]indol-1-yl]propanamide
CID 46989574
2-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylethanamine
CID 66409955
3-[3-[(3-pyridin-4-ylpropylamino)methyl]indol-1-yl]propanamide
CID 46987148
3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 71025575
3-[3-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]indol-1-yl]propanamide
CID 46985571
3-[3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]propanamide
CID 46985288
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741
5-[(1-methylindol-3-yl)methylamino]pentanamide
CID 106233935
ethyl 3-[(1-ethylindol-3-yl)methylamino]propanoate
CID 65067184
N-[(1-methylcyclopentyl)methyl]-1-(1-methylindol-3-yl)methanamine
CID 107235706

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[[1-[ethyl(methyl)amino]cyclohexyl]methylamino]methyl]indol-1-yl]propanamide?
The IUPAC name of 3-[3-[[[1-[ethyl(methyl)amino]cyclohexyl]methylamino]methyl]indol-1-yl]propanamide (CID 46989963) is 3-[3-[[[1-[ethyl(methyl)amino]cyclohexyl]methylamino]methyl]indol-1-yl]propanamide.
What is the SMILES notation for 3-[3-[[[1-[ethyl(methyl)amino]cyclohexyl]methylamino]methyl]indol-1-yl]propanamide?
The canonical SMILES for 3-[3-[[[1-[ethyl(methyl)amino]cyclohexyl]methylamino]methyl]indol-1-yl]propanamide is CCN(C)C1(CNCc2cn(CCC(N)=O)c3ccccc23)CCCCC1.
What is the InChIKey of 3-[3-[[[1-[ethyl(methyl)amino]cyclohexyl]methylamino]methyl]indol-1-yl]propanamide?
The InChIKey is AXKCDMRLSSTFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O/c1-3-25(2)22(12-7-4-8-13-22)17-24-15-18-16-26(14-11-21(23)27)20-10-6-5-9-19(18)20/h5-6,9-10,16,24H,3-4,7-8,11-15,17H2,1-2H3,(H2,23,27).
What are the key properties of 3-[3-[[[1-[ethyl(methyl)amino]cyclohexyl]methylamino]methyl]indol-1-yl]propanamide?
3-[3-[[[1-[ethyl(methyl)amino]cyclohexyl]methylamino]methyl]indol-1-yl]propanamide has a molecular weight of 370.54 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[[1-[ethyl(methyl)amino]cyclohexyl]methylamino]methyl]indol-1-yl]propanamide is sourced from PubChem (CID 46989963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).