N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C24H31N3O5 — CID 30548877

IUPACN-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)N2CCOCC2)cc1OC
InChIInChI=1S/C24H31N3O5/c1-15-22-17(5-4-6-19(22)28)26-23(15)24(29)25-14-18(27-9-11-32-12-10-27)16-7-8-20(30-2)21(13-16)31-3/h7-8,13,18,26H,4-6,9-12,14H2,1-3H3,(H,25,29)/t18-/m1/s1
InChIKeyWGGQESNXJPXYQU-GOSISDBHSA-N
MW441.53 g/mol
LogP2.66
Rot. Bonds7

About N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 30548877) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID30548877
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC NameN-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)N2CCOCC2)cc1OC
InChIInChI=1S/C24H31N3O5/c1-15-22-17(5-4-6-19(22)28)26-23(15)24(29)25-14-18(27-9-11-32-12-10-27)16-7-8-20(30-2)21(13-16)31-3/h7-8,13,18,26H,4-6,9-12,14H2,1-3H3,(H,25,29)/t18-/m1/s1
InChIKeyWGGQESNXJPXYQU-GOSISDBHSA-N
XLogP2.66
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 29360681
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 52536756
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51200983
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 39110513
3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 119830154
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 55388124
1-benzyl-3-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]urea
CID 47012803
1-acetyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 24647042
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 30549337
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 46525244
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 24646979

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 30548877) is N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is COc1ccc([C@@H](CNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)N2CCOCC2)cc1OC.
What is the InChIKey of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is WGGQESNXJPXYQU-GOSISDBHSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-15-22-17(5-4-6-19(22)28)26-23(15)24(29)25-14-18(27-9-11-32-12-10-27)16-7-8-20(30-2)21(13-16)31-3/h7-8,13,18,26H,4-6,9-12,14H2,1-3H3,(H,25,29)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 30548877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).