3-[2-(dimethylamino)ethyl]-N-[4-(methylamino)cyclohexyl]indole-1-carboxamide

C20H30N4O — CID 166467769

IUPAC3-[2-(dimethylamino)ethyl]-N-[4-(methylamino)cyclohexyl]indole-1-carboxamide
SMILESCNC1CCC(NC(=O)n2cc(CCN(C)C)c3ccccc32)CC1
InChIInChI=1S/C20H30N4O/c1-21-16-8-10-17(11-9-16)22-20(25)24-14-15(12-13-23(2)3)18-6-4-5-7-19(18)24/h4-7,14,16-17,21H,8-13H2,1-3H3,(H,22,25)
InChIKeyCJEGGXPZQDGDEG-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.83
Rot. Bonds5

About 3-[2-(dimethylamino)ethyl]-N-[4-(methylamino)cyclohexyl]indole-1-carboxamide

3-[2-(dimethylamino)ethyl]-N-[4-(methylamino)cyclohexyl]indole-1-carboxamide (PubChem CID 166467769) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-N-[4-(methylamino)cyclohexyl]indole-1-carboxamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-N-[4-(methylamino)cyclohexyl]indole-1-carboxamide
PubChem CID166467769
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name3-[2-(dimethylamino)ethyl]-N-[4-(methylamino)cyclohexyl]indole-1-carboxamide
SMILESCNC1CCC(NC(=O)n2cc(CCN(C)C)c3ccccc32)CC1
InChIInChI=1S/C20H30N4O/c1-21-16-8-10-17(11-9-16)22-20(25)24-14-15(12-13-23(2)3)18-6-4-5-7-19(18)24/h4-7,14,16-17,21H,8-13H2,1-3H3,(H,22,25)
InChIKeyCJEGGXPZQDGDEG-UHFFFAOYSA-N
XLogP2.83
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride
CID 166467543
N-[4-(azetidin-1-yl)cyclohexyl]-3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxamide
CID 168931076
1-[3-[2-(dimethylamino)ethyl]indol-1-yl]hexadecan-1-one
CID 166138506
methyl 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-4-oxobutanoate
CID 166467362
1-[3-[2-(dimethylamino)ethyl]indol-1-yl]octadecan-1-one
CID 166138351
[3-[2-(dimethylamino)ethyl]indol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 166467266
3-[2-(dimethylamino)ethyl]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]indole-1-carboxamide
CID 166467227
5-bromo-3-[2-(dimethylamino)ethyl]-N-[(1S,2R)-2-phenylcyclopropyl]indole-1-carboxamide
CID 11750661
oxane-4-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467234
2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467171
(1-methylazetidine-3-carbonyl)oxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467441
[1-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1-oxopropan-2-yl] carbamate
CID 175590036

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-N-[4-(methylamino)cyclohexyl]indole-1-carboxamide?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-N-[4-(methylamino)cyclohexyl]indole-1-carboxamide (CID 166467769) is 3-[2-(dimethylamino)ethyl]-N-[4-(methylamino)cyclohexyl]indole-1-carboxamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-N-[4-(methylamino)cyclohexyl]indole-1-carboxamide?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-N-[4-(methylamino)cyclohexyl]indole-1-carboxamide is CNC1CCC(NC(=O)n2cc(CCN(C)C)c3ccccc32)CC1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-N-[4-(methylamino)cyclohexyl]indole-1-carboxamide?
The InChIKey is CJEGGXPZQDGDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-21-16-8-10-17(11-9-16)22-20(25)24-14-15(12-13-23(2)3)18-6-4-5-7-19(18)24/h4-7,14,16-17,21H,8-13H2,1-3H3,(H,22,25).
What are the key properties of 3-[2-(dimethylamino)ethyl]-N-[4-(methylamino)cyclohexyl]indole-1-carboxamide?
3-[2-(dimethylamino)ethyl]-N-[4-(methylamino)cyclohexyl]indole-1-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-N-[4-(methylamino)cyclohexyl]indole-1-carboxamide is sourced from PubChem (CID 166467769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).