N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide

C19H27N3O3 — CID 111698262

IUPACN-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)NCC(C)(O)CN3CCOCC3)cccc2c1C
InChIInChI=1S/C19H27N3O3/c1-13-14(2)21-17-15(13)5-4-6-16(17)18(23)20-11-19(3,24)12-22-7-9-25-10-8-22/h4-6,21,24H,7-12H2,1-3H3,(H,20,23)
InChIKeyRRIVYMUCRJUWIW-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.60
Rot. Bonds5

About N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide

N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide (PubChem CID 111698262) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide
PubChem CID111698262
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)NCC(C)(O)CN3CCOCC3)cccc2c1C
InChIInChI=1S/C19H27N3O3/c1-13-14(2)21-17-15(13)5-4-6-16(17)18(23)20-11-19(3,24)12-22-7-9-25-10-8-22/h4-6,21,24H,7-12H2,1-3H3,(H,20,23)
InChIKeyRRIVYMUCRJUWIW-UHFFFAOYSA-N
XLogP1.60
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-phenylfuran-2-carboxamide
CID 111698273
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 111519900
1-benzyl-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]pyrrole-2-carboxamide
CID 95971967
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2-(4-methyl-1H-indol-3-yl)acetamide
CID 111519938
2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-7-carboxamide
CID 86979107
N-[(2S)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]-3-(1,3-oxazol-5-yl)benzamide
CID 164639309
7-fluoro-N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
CID 111698284
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-phenylcyclopropane-1-carboxamide
CID 111520008
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 97454271
(2,3-dimethyl-1H-indol-7-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 72848556
2,3-dimethyl-N-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide
CID 32609242
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 111451352

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide (CID 111698262) is N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide is Cc1[nH]c2c(C(=O)NCC(C)(O)CN3CCOCC3)cccc2c1C.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide?
The InChIKey is RRIVYMUCRJUWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13-14(2)21-17-15(13)5-4-6-16(17)18(23)20-11-19(3,24)12-22-7-9-25-10-8-22/h4-6,21,24H,7-12H2,1-3H3,(H,20,23).
What are the key properties of N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide?
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide is sourced from PubChem (CID 111698262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).