1-cyclohexyl-5-methoxy-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)indole-3-carboxamide

C24H35N3O3 — CID 112827378

IUPAC1-cyclohexyl-5-methoxy-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)indole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)NC(C)CN1CCOCC1)c(C)n2C1CCCCC1
InChIInChI=1S/C24H35N3O3/c1-17(16-26-11-13-30-14-12-26)25-24(28)23-18(2)27(19-7-5-4-6-8-19)22-10-9-20(29-3)15-21(22)23/h9-10,15,17,19H,4-8,11-14,16H2,1-3H3,(H,25,28)
InChIKeyTVRSPVGXUPYFCK-UHFFFAOYSA-N
MW413.56 g/mol
LogP3.91
Rot. Bonds6

About 1-cyclohexyl-5-methoxy-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)indole-3-carboxamide

1-cyclohexyl-5-methoxy-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)indole-3-carboxamide (PubChem CID 112827378) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is 1-cyclohexyl-5-methoxy-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)indole-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-5-methoxy-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)indole-3-carboxamide
PubChem CID112827378
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Name1-cyclohexyl-5-methoxy-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)indole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)NC(C)CN1CCOCC1)c(C)n2C1CCCCC1
InChIInChI=1S/C24H35N3O3/c1-17(16-26-11-13-30-14-12-26)25-24(28)23-18(2)27(19-7-5-4-6-8-19)22-10-9-20(29-3)15-21(22)23/h9-10,15,17,19H,4-8,11-14,16H2,1-3H3,(H,25,28)
InChIKeyTVRSPVGXUPYFCK-UHFFFAOYSA-N
XLogP3.91
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-5-methoxy-2-methyl-N-(3-morpholin-4-yl-3-oxopropyl)indole-3-carboxamide
CID 112815425
1-cyclohexyl-N-(2-hydroxyethyl)-5-methoxy-2-methylindole-3-carboxamide
CID 110878033
1-cyclohexyl-5-methoxy-2-methyl-N-(1-pyridin-3-ylethyl)indole-3-carboxamide
CID 112772126
1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylate
CID 6954360
1-cyclohexyl-5-methoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxamide
CID 112795503
1-cyclohexyl-5-methoxy-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-3-carboxamide
CID 112799090
1-cyclohexyl-5-methoxy-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-3-carboxamide
CID 112819708
1-cyclohexyl-N-[2-(dimethylamino)-1-(2-methylphenyl)ethyl]-5-methoxy-2-methylindole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 166326615
1-cyclohexyl-N-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxamide
CID 112820627
N-[4-(3-amino-3-oxopropoxy)phenyl]-1-cyclohexyl-5-methoxy-2-methylindole-3-carboxamide
CID 112842247
1-cyclohexyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-2-methylindole-3-carboxamide
CID 112771381
1-cyclopentyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxy-2-methylindole-3-carboxamide
CID 131962261

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-methoxy-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)indole-3-carboxamide?
The IUPAC name of 1-cyclohexyl-5-methoxy-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)indole-3-carboxamide (CID 112827378) is 1-cyclohexyl-5-methoxy-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)indole-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-5-methoxy-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)indole-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-5-methoxy-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)indole-3-carboxamide is COc1ccc2c(c1)c(C(=O)NC(C)CN1CCOCC1)c(C)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-methoxy-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)indole-3-carboxamide?
The InChIKey is TVRSPVGXUPYFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-17(16-26-11-13-30-14-12-26)25-24(28)23-18(2)27(19-7-5-4-6-8-19)22-10-9-20(29-3)15-21(22)23/h9-10,15,17,19H,4-8,11-14,16H2,1-3H3,(H,25,28).
What are the key properties of 1-cyclohexyl-5-methoxy-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)indole-3-carboxamide?
1-cyclohexyl-5-methoxy-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)indole-3-carboxamide has a molecular weight of 413.56 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-methoxy-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)indole-3-carboxamide is sourced from PubChem (CID 112827378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).