3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-1-methylindole-2-carboxamide

C21H30ClN3O2 — CID 55665915

IUPAC3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-1-methylindole-2-carboxamide
SMILESCCC(CC)C(CNC(=O)c1c(Cl)c2ccccc2n1C)N1CCOCC1
InChIInChI=1S/C21H30ClN3O2/c1-4-15(5-2)18(25-10-12-27-13-11-25)14-23-21(26)20-19(22)16-8-6-7-9-17(16)24(20)3/h6-9,15,18H,4-5,10-14H2,1-3H3,(H,23,26)
InChIKeyMPSDZTIPKHMHLI-UHFFFAOYSA-N
MW391.94 g/mol
LogP3.70
Rot. Bonds7

About 3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-1-methylindole-2-carboxamide

3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-1-methylindole-2-carboxamide (PubChem CID 55665915) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is 3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-1-methylindole-2-carboxamide
PubChem CID55665915
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC Name3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-1-methylindole-2-carboxamide
SMILESCCC(CC)C(CNC(=O)c1c(Cl)c2ccccc2n1C)N1CCOCC1
InChIInChI=1S/C21H30ClN3O2/c1-4-15(5-2)18(25-10-12-27-13-11-25)14-23-21(26)20-19(22)16-8-6-7-9-17(16)24(20)3/h6-9,15,18H,4-5,10-14H2,1-3H3,(H,23,26)
InChIKeyMPSDZTIPKHMHLI-UHFFFAOYSA-N
XLogP3.70
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 75689586
3-chloro-N-(2-hydroxypropyl)-1-methylindole-2-carboxamide
CID 110900786
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(9-oxoacridin-10-yl)acetamide
CID 46410424
5-bromo-2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 43046378
1-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrole-2-carboxamide
CID 55585125
4-(benzotriazol-1-ylmethyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 46539633
N-(3-ethyl-2-morpholin-4-ylpentyl)-2,3-dimethoxybenzamide
CID 46529390
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methylsulfanylbenzamide
CID 42943243
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-phenylpiperazine-1-carboxamide
CID 42954539
N-(3-ethyl-2-morpholin-4-ylpentyl)-1-oxidopyridin-1-ium-3-carboxamide
CID 43046384
3-chloro-N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide
CID 55550745
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide
CID 55731335

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-1-methylindole-2-carboxamide?
The IUPAC name of 3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-1-methylindole-2-carboxamide (CID 55665915) is 3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-1-methylindole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-1-methylindole-2-carboxamide?
The canonical SMILES for 3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-1-methylindole-2-carboxamide is CCC(CC)C(CNC(=O)c1c(Cl)c2ccccc2n1C)N1CCOCC1.
What is the InChIKey of 3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-1-methylindole-2-carboxamide?
The InChIKey is MPSDZTIPKHMHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O2/c1-4-15(5-2)18(25-10-12-27-13-11-25)14-23-21(26)20-19(22)16-8-6-7-9-17(16)24(20)3/h6-9,15,18H,4-5,10-14H2,1-3H3,(H,23,26).
What are the key properties of 3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-1-methylindole-2-carboxamide?
3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-1-methylindole-2-carboxamide has a molecular weight of 391.94 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-1-methylindole-2-carboxamide is sourced from PubChem (CID 55665915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).