4-N-[(2S)-butan-2-yl]-1-N-(4-methylphenyl)-2,3-dihydroindole-1,4-dicarboxamide

C21H25N3O2 — CID 95100010

IUPAC4-N-[(2S)-butan-2-yl]-1-N-(4-methylphenyl)-2,3-dihydroindole-1,4-dicarboxamide
SMILESCC[C@H](C)NC(=O)c1cccc2c1CCN2C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H25N3O2/c1-4-15(3)22-20(25)18-6-5-7-19-17(18)12-13-24(19)21(26)23-16-10-8-14(2)9-11-16/h5-11,15H,4,12-13H2,1-3H3,(H,22,25)(H,23,26)/t15-/m0/s1
InChIKeyPIPQXHSMHJJXID-HNNXBMFYSA-N
MW351.45 g/mol
LogP4.12
Rot. Bonds4

About 4-N-[(2S)-butan-2-yl]-1-N-(4-methylphenyl)-2,3-dihydroindole-1,4-dicarboxamide

4-N-[(2S)-butan-2-yl]-1-N-(4-methylphenyl)-2,3-dihydroindole-1,4-dicarboxamide (PubChem CID 95100010) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-N-[(2S)-butan-2-yl]-1-N-(4-methylphenyl)-2,3-dihydroindole-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2S)-butan-2-yl]-1-N-(4-methylphenyl)-2,3-dihydroindole-1,4-dicarboxamide
PubChem CID95100010
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-N-[(2S)-butan-2-yl]-1-N-(4-methylphenyl)-2,3-dihydroindole-1,4-dicarboxamide
SMILESCC[C@H](C)NC(=O)c1cccc2c1CCN2C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C21H25N3O2/c1-4-15(3)22-20(25)18-6-5-7-19-17(18)12-13-24(19)21(26)23-16-10-8-14(2)9-11-16/h5-11,15H,4,12-13H2,1-3H3,(H,22,25)(H,23,26)/t15-/m0/s1
InChIKeyPIPQXHSMHJJXID-HNNXBMFYSA-N
XLogP4.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[(2S)-butan-2-yl]-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 95100016
1-N-(4-methylphenyl)-4-N-(2-methylpropyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160081
1-N-(4-methylphenyl)-4-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydroindole-1,4-dicarboxamide
CID 53160076
4-N-ethyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160167
4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide
CID 53160123
1-N-(4-methoxyphenyl)-4-N-(1-pyridin-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53200908
N-[(2R)-butan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 893770
N-butan-2-yl-2-[(4-methylbenzoyl)amino]benzamide
CID 2942993
N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834919
N-butan-2-yl-2-hydroxy-3-methylbenzamide
CID 43176510
N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
CID 42427411
1-N-phenyl-4-N-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160126

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2S)-butan-2-yl]-1-N-(4-methylphenyl)-2,3-dihydroindole-1,4-dicarboxamide?
The IUPAC name of 4-N-[(2S)-butan-2-yl]-1-N-(4-methylphenyl)-2,3-dihydroindole-1,4-dicarboxamide (CID 95100010) is 4-N-[(2S)-butan-2-yl]-1-N-(4-methylphenyl)-2,3-dihydroindole-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2S)-butan-2-yl]-1-N-(4-methylphenyl)-2,3-dihydroindole-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(2S)-butan-2-yl]-1-N-(4-methylphenyl)-2,3-dihydroindole-1,4-dicarboxamide is CC[C@H](C)NC(=O)c1cccc2c1CCN2C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 4-N-[(2S)-butan-2-yl]-1-N-(4-methylphenyl)-2,3-dihydroindole-1,4-dicarboxamide?
The InChIKey is PIPQXHSMHJJXID-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-4-15(3)22-20(25)18-6-5-7-19-17(18)12-13-24(19)21(26)23-16-10-8-14(2)9-11-16/h5-11,15H,4,12-13H2,1-3H3,(H,22,25)(H,23,26)/t15-/m0/s1.
What are the key properties of 4-N-[(2S)-butan-2-yl]-1-N-(4-methylphenyl)-2,3-dihydroindole-1,4-dicarboxamide?
4-N-[(2S)-butan-2-yl]-1-N-(4-methylphenyl)-2,3-dihydroindole-1,4-dicarboxamide has a molecular weight of 351.45 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2S)-butan-2-yl]-1-N-(4-methylphenyl)-2,3-dihydroindole-1,4-dicarboxamide is sourced from PubChem (CID 95100010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).