N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4-methylmorpholine-3-carboxamide

C18H24ClN3O2 — CID 171518549

IUPACN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4-methylmorpholine-3-carboxamide
SMILESCC(C)c1cc2[nH]c(CNC(=O)C3COCCN3C)cc2cc1Cl
InChIInChI=1S/C18H24ClN3O2/c1-11(2)14-8-16-12(7-15(14)19)6-13(21-16)9-20-18(23)17-10-24-5-4-22(17)3/h6-8,11,17,21H,4-5,9-10H2,1-3H3,(H,20,23)
InChIKeySJBQIRCETVHDSY-UHFFFAOYSA-N
MW349.86 g/mol
LogP2.89
Rot. Bonds4

About N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4-methylmorpholine-3-carboxamide

N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4-methylmorpholine-3-carboxamide (PubChem CID 171518549) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4-methylmorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4-methylmorpholine-3-carboxamide
PubChem CID171518549
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC NameN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4-methylmorpholine-3-carboxamide
SMILESCC(C)c1cc2[nH]c(CNC(=O)C3COCCN3C)cc2cc1Cl
InChIInChI=1S/C18H24ClN3O2/c1-11(2)14-8-16-12(7-15(14)19)6-13(21-16)9-20-18(23)17-10-24-5-4-22(17)3/h6-8,11,17,21H,4-5,9-10H2,1-3H3,(H,20,23)
InChIKeySJBQIRCETVHDSY-UHFFFAOYSA-N
XLogP2.89
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide
CID 171519418
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 171731816
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 171731958
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-oxabicyclo[2.1.1]hexane-1-carboxamide
CID 171731786
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-hydroxypropanamide
CID 171731951
4-methyl-N-[(4-oxo-1H-quinolin-2-yl)methyl]morpholine-3-carboxamide
CID 167968374
propan-2-yl N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]carbamate
CID 171518961
1-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-(2,2-difluoroethyl)urea
CID 171519675
N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]cyclopropanecarboxamide
CID 171519243
(2S)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-1-methylazetidine-2-carboxamide
CID 171518169
N-[[5-chloro-6-[[(2S)-1,4-dioxan-2-yl]methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519743
3-fluoro-2-hydroxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]propanamide
CID 171518789

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4-methylmorpholine-3-carboxamide?
The IUPAC name of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4-methylmorpholine-3-carboxamide (CID 171518549) is N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4-methylmorpholine-3-carboxamide.
What is the SMILES notation for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4-methylmorpholine-3-carboxamide?
The canonical SMILES for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4-methylmorpholine-3-carboxamide is CC(C)c1cc2[nH]c(CNC(=O)C3COCCN3C)cc2cc1Cl.
What is the InChIKey of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4-methylmorpholine-3-carboxamide?
The InChIKey is SJBQIRCETVHDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-11(2)14-8-16-12(7-15(14)19)6-13(21-16)9-20-18(23)17-10-24-5-4-22(17)3/h6-8,11,17,21H,4-5,9-10H2,1-3H3,(H,20,23).
What are the key properties of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4-methylmorpholine-3-carboxamide?
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4-methylmorpholine-3-carboxamide has a molecular weight of 349.86 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4-methylmorpholine-3-carboxamide is sourced from PubChem (CID 171518549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).