5-chloro-N-[4-(diethylamino)butyl]-1-ethyl-3-methylindole-2-carboxamide

C20H30ClN3O — CID 110497733

IUPAC5-chloro-N-[4-(diethylamino)butyl]-1-ethyl-3-methylindole-2-carboxamide
SMILESCCN(CC)CCCCNC(=O)c1c(C)c2cc(Cl)ccc2n1CC
InChIInChI=1S/C20H30ClN3O/c1-5-23(6-2)13-9-8-12-22-20(25)19-15(4)17-14-16(21)10-11-18(17)24(19)7-3/h10-11,14H,5-9,12-13H2,1-4H3,(H,22,25)
InChIKeyVOBLVXMZGFDRAE-UHFFFAOYSA-N
MW363.93 g/mol
LogP4.47
Rot. Bonds9

About 5-chloro-N-[4-(diethylamino)butyl]-1-ethyl-3-methylindole-2-carboxamide

5-chloro-N-[4-(diethylamino)butyl]-1-ethyl-3-methylindole-2-carboxamide (PubChem CID 110497733) has the molecular formula C20H30ClN3O and a molecular weight of 363.93 g/mol. Its IUPAC name is 5-chloro-N-[4-(diethylamino)butyl]-1-ethyl-3-methylindole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(diethylamino)butyl]-1-ethyl-3-methylindole-2-carboxamide
PubChem CID110497733
Molecular FormulaC20H30ClN3O
Molecular Weight363.93 g/mol
Exact Mass363.21
IUPAC Name5-chloro-N-[4-(diethylamino)butyl]-1-ethyl-3-methylindole-2-carboxamide
SMILESCCN(CC)CCCCNC(=O)c1c(C)c2cc(Cl)ccc2n1CC
InChIInChI=1S/C20H30ClN3O/c1-5-23(6-2)13-9-8-12-22-20(25)19-15(4)17-14-16(21)10-11-18(17)24(19)7-3/h10-11,14H,5-9,12-13H2,1-4H3,(H,22,25)
InChIKeyVOBLVXMZGFDRAE-UHFFFAOYSA-N
XLogP4.47
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-1-ethyl-N-hexyl-3-methylindole-2-carboxamide
CID 110497680
5-chloro-N-(3-ethoxypropyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110497715
1-butyl-N-[4-(diethylamino)butyl]-3-methylindole-2-carboxamide
CID 110497326
5-chloro-N-(3-chloro-4-methylphenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502138
5-chloro-1-ethyl-3-methyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 110497698
5-chloro-1-ethyl-N,N-bis(2-hydroxyethyl)-3-methylindole-2-carboxamide
CID 110498960
5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502070
5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110497737
5-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110497706
5-chloro-N-cyclooctyl-1-ethyl-3-methylindole-2-carboxamide
CID 110497686
5-chloro-1-ethyl-3-methyl-N-(4-methylpiperazin-1-yl)indole-2-carboxamide
CID 110497753
5-chloro-N-[2-(diethylamino)ethyl]-2-ethyl-3-phenylisoindole-1-carboxamide
CID 54497345

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(diethylamino)butyl]-1-ethyl-3-methylindole-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(diethylamino)butyl]-1-ethyl-3-methylindole-2-carboxamide (CID 110497733) is 5-chloro-N-[4-(diethylamino)butyl]-1-ethyl-3-methylindole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(diethylamino)butyl]-1-ethyl-3-methylindole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(diethylamino)butyl]-1-ethyl-3-methylindole-2-carboxamide is CCN(CC)CCCCNC(=O)c1c(C)c2cc(Cl)ccc2n1CC.
What is the InChIKey of 5-chloro-N-[4-(diethylamino)butyl]-1-ethyl-3-methylindole-2-carboxamide?
The InChIKey is VOBLVXMZGFDRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O/c1-5-23(6-2)13-9-8-12-22-20(25)19-15(4)17-14-16(21)10-11-18(17)24(19)7-3/h10-11,14H,5-9,12-13H2,1-4H3,(H,22,25).
What are the key properties of 5-chloro-N-[4-(diethylamino)butyl]-1-ethyl-3-methylindole-2-carboxamide?
5-chloro-N-[4-(diethylamino)butyl]-1-ethyl-3-methylindole-2-carboxamide has a molecular weight of 363.93 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(diethylamino)butyl]-1-ethyl-3-methylindole-2-carboxamide is sourced from PubChem (CID 110497733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).