N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2,3-dimethyl-1H-indole-6-carboxamide

C22H23N3O2 — CID 51498992

IUPACN-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2,3-dimethyl-1H-indole-6-carboxamide
SMILESCC(=O)N1c2ccc(NC(=O)c3ccc4c(C)c(C)[nH]c4c3)cc2C[C@@H]1C
InChIInChI=1S/C22H23N3O2/c1-12-9-17-10-18(6-8-21(17)25(12)15(4)26)24-22(27)16-5-7-19-13(2)14(3)23-20(19)11-16/h5-8,10-12,23H,9H2,1-4H3,(H,24,27)/t12-/m0/s1
InChIKeyUJVRYWXDXIVBGG-LBPRGKRZSA-N
MW361.45 g/mol
LogP4.33
Rot. Bonds2

About N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2,3-dimethyl-1H-indole-6-carboxamide

N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2,3-dimethyl-1H-indole-6-carboxamide (PubChem CID 51498992) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2,3-dimethyl-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2,3-dimethyl-1H-indole-6-carboxamide
PubChem CID51498992
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2,3-dimethyl-1H-indole-6-carboxamide
SMILESCC(=O)N1c2ccc(NC(=O)c3ccc4c(C)c(C)[nH]c4c3)cc2C[C@@H]1C
InChIInChI=1S/C22H23N3O2/c1-12-9-17-10-18(6-8-21(17)25(12)15(4)26)24-22(27)16-5-7-19-13(2)14(3)23-20(19)11-16/h5-8,10-12,23H,9H2,1-4H3,(H,24,27)/t12-/m0/s1
InChIKeyUJVRYWXDXIVBGG-LBPRGKRZSA-N
XLogP4.33
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 51498965
N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1-phenyltriazole-4-carboxamide
CID 51499002
N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 51498960
1-(2,5-dimethyl-2,3-dihydroindol-1-yl)ethanone
CID 170151207
2-methyl-1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide
CID 78808548
N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-chloro-4-(1,2,4-triazol-4-yl)benzamide
CID 51496042
(2R)-N-(3-acetylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452658
(2S)-N-[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-methyloxolane-2-carboxamide
CID 51498983
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
N-(3-acetylphenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 109057702
N-(3-fluorophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 26579048
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]benzoic acid
CID 23474692

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2,3-dimethyl-1H-indole-6-carboxamide?
The IUPAC name of N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2,3-dimethyl-1H-indole-6-carboxamide (CID 51498992) is N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2,3-dimethyl-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2,3-dimethyl-1H-indole-6-carboxamide?
The canonical SMILES for N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2,3-dimethyl-1H-indole-6-carboxamide is CC(=O)N1c2ccc(NC(=O)c3ccc4c(C)c(C)[nH]c4c3)cc2C[C@@H]1C.
What is the InChIKey of N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2,3-dimethyl-1H-indole-6-carboxamide?
The InChIKey is UJVRYWXDXIVBGG-LBPRGKRZSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-12-9-17-10-18(6-8-21(17)25(12)15(4)26)24-22(27)16-5-7-19-13(2)14(3)23-20(19)11-16/h5-8,10-12,23H,9H2,1-4H3,(H,24,27)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2,3-dimethyl-1H-indole-6-carboxamide?
N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2,3-dimethyl-1H-indole-6-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2,3-dimethyl-1H-indole-6-carboxamide is sourced from PubChem (CID 51498992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).