(2S)-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-2-carboxamide

C19H20N2O5 — CID 41428756

IUPAC(2S)-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
SMILESCOc1cc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc(OC)c1OC
InChIInChI=1S/C19H20N2O5/c1-24-15-9-12(10-16(25-2)17(15)26-3)19(23)21-13-7-5-4-6-11(13)8-14(21)18(20)22/h4-7,9-10,14H,8H2,1-3H3,(H2,20,22)/t14-/m0/s1
InChIKeyQDWQBQGJDBDRMV-AWEZNQCLSA-N
MW356.38 g/mol
LogP1.77
Rot. Bonds5

About (2S)-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-2-carboxamide

(2S)-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 41428756) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is (2S)-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
PubChem CID41428756
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name(2S)-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
SMILESCOc1cc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc(OC)c1OC
InChIInChI=1S/C19H20N2O5/c1-24-15-9-12(10-16(25-2)17(15)26-3)19(23)21-13-7-5-4-6-11(13)8-14(21)18(20)22/h4-7,9-10,14H,8H2,1-3H3,(H2,20,22)/t14-/m0/s1
InChIKeyQDWQBQGJDBDRMV-AWEZNQCLSA-N
XLogP1.77
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 118856568
(2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 40829167
1-(3,4-diethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
CID 18587923
(2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428724
(2R)-1-N-(2,4-dimethoxyphenyl)-2,3-dihydroindole-1,2-dicarboxamide
CID 41232320
(2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428763
(2S)-1-[4-[(R)-methylsulfinyl]benzoyl]-2,3-dihydroindole-2-carboxamide
CID 95146370
(2R)-1-(2-ethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428728
1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]-N-propan-2-yl-2,3-dihydroindole-2-carboxamide
CID 20697348
(2S)-1-[4-(diethylsulfamoyl)benzoyl]-2,3-dihydroindole-2-carboxamide
CID 41428851
1-hydroxy-2,3-dihydroindole-2-carboxamide
CID 154385524
1-(1-benzofuran-2-carbonyl)-2,3-dihydroindole-2-carboxamide
CID 18587951

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-2-carboxamide (CID 41428756) is (2S)-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-2-carboxamide is COc1cc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc(OC)c1OC.
What is the InChIKey of (2S)-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is QDWQBQGJDBDRMV-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-24-15-9-12(10-16(25-2)17(15)26-3)19(23)21-13-7-5-4-6-11(13)8-14(21)18(20)22/h4-7,9-10,14H,8H2,1-3H3,(H2,20,22)/t14-/m0/s1.
What are the key properties of (2S)-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-2-carboxamide?
(2S)-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 41428756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).