2-(6-chloro-1H-indol-3-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide

C18H24ClN3O2 — CID 113210455

IUPAC2-(6-chloro-1H-indol-3-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(C)(C(=O)NCCN1CCOCC1)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C18H24ClN3O2/c1-18(2,15-12-21-16-11-13(19)3-4-14(15)16)17(23)20-5-6-22-7-9-24-10-8-22/h3-4,11-12,21H,5-10H2,1-2H3,(H,20,23)
InChIKeySISAHOXYFZOJLU-UHFFFAOYSA-N
MW349.86 g/mol
LogP2.55
Rot. Bonds5

About 2-(6-chloro-1H-indol-3-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide

2-(6-chloro-1H-indol-3-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 113210455) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID113210455
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name2-(6-chloro-1H-indol-3-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(C)(C(=O)NCCN1CCOCC1)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C18H24ClN3O2/c1-18(2,15-12-21-16-11-13(19)3-4-14(15)16)17(23)20-5-6-22-7-9-24-10-8-22/h3-4,11-12,21H,5-10H2,1-2H3,(H,20,23)
InChIKeySISAHOXYFZOJLU-UHFFFAOYSA-N
XLogP2.55
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
CID 113206353
2-(6-chloro-1H-indol-3-yl)-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 113210456
2-(6-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 113210464
2-(6-chloro-1H-indol-3-yl)-2-methyl-1-piperidin-1-ylpropan-1-one
CID 113210447
2-(6-chloro-1H-indol-3-yl)-1-morpholin-4-ylethanone
CID 110849334
3-(5-chloro-1H-indol-3-yl)-3-cyclohexyl-N-(2-morpholin-4-ylethyl)propanamide
CID 83289116
2-(4-chlorophenoxy)-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 3973227
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-pentylpropanamide
CID 113210360
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide
CID 3533686
(2S)-2,3-dichloro-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 7375443
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 108984345

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide (CID 113210455) is 2-(6-chloro-1H-indol-3-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide is CC(C)(C(=O)NCCN1CCOCC1)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is SISAHOXYFZOJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-18(2,15-12-21-16-11-13(19)3-4-14(15)16)17(23)20-5-6-22-7-9-24-10-8-22/h3-4,11-12,21H,5-10H2,1-2H3,(H,20,23).
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
2-(6-chloro-1H-indol-3-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 349.86 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 113210455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).