4-(3-hydroxy-3-methylbutyl)-N-[(1S)-1-(1H-indol-2-yl)ethyl]-N-methylbenzamide

C23H28N2O2 — CID 95884884

IUPAC4-(3-hydroxy-3-methylbutyl)-N-[(1S)-1-(1H-indol-2-yl)ethyl]-N-methylbenzamide
SMILESC[C@@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1ccc(CCC(C)(C)O)cc1
InChIInChI=1S/C23H28N2O2/c1-16(21-15-19-7-5-6-8-20(19)24-21)25(4)22(26)18-11-9-17(10-12-18)13-14-23(2,3)27/h5-12,15-16,24,27H,13-14H2,1-4H3/t16-/m0/s1
InChIKeyOSMCVUFEIIWNKQ-INIZCTEOSA-N
MW364.49 g/mol
LogP4.70
Rot. Bonds6

About 4-(3-hydroxy-3-methylbutyl)-N-[(1S)-1-(1H-indol-2-yl)ethyl]-N-methylbenzamide

4-(3-hydroxy-3-methylbutyl)-N-[(1S)-1-(1H-indol-2-yl)ethyl]-N-methylbenzamide (PubChem CID 95884884) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylbutyl)-N-[(1S)-1-(1H-indol-2-yl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylbutyl)-N-[(1S)-1-(1H-indol-2-yl)ethyl]-N-methylbenzamide
PubChem CID95884884
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name4-(3-hydroxy-3-methylbutyl)-N-[(1S)-1-(1H-indol-2-yl)ethyl]-N-methylbenzamide
SMILESC[C@@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1ccc(CCC(C)(C)O)cc1
InChIInChI=1S/C23H28N2O2/c1-16(21-15-19-7-5-6-8-20(19)24-21)25(4)22(26)18-11-9-17(10-12-18)13-14-23(2,3)27/h5-12,15-16,24,27H,13-14H2,1-4H3/t16-/m0/s1
InChIKeyOSMCVUFEIIWNKQ-INIZCTEOSA-N
XLogP4.70
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Devazepide
CID 443375
Rhetsinine
CID 99652
CK-666
CID 589075
LY-344864
CID 5311097
[3H]Devazepide
CID 59751
2-Methyl indole, 17
CID 25138259
N-methyl-N-phenyl-1H-indole-2-carboxamide
CID 821483
N-Benzyl-1H-indole-2-carboxamide
CID 8023988
N-(2-(1H-indol-3-yl)ethyl)benzamide
CID 684658
(1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 4060730
Indolyl quinolinone deriv. 10
CID 5329376
Indolyl quinolinone deriv. 12
CID 5329378

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-[(1S)-1-(1H-indol-2-yl)ethyl]-N-methylbenzamide?
The IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-[(1S)-1-(1H-indol-2-yl)ethyl]-N-methylbenzamide (CID 95884884) is 4-(3-hydroxy-3-methylbutyl)-N-[(1S)-1-(1H-indol-2-yl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 4-(3-hydroxy-3-methylbutyl)-N-[(1S)-1-(1H-indol-2-yl)ethyl]-N-methylbenzamide?
The canonical SMILES for 4-(3-hydroxy-3-methylbutyl)-N-[(1S)-1-(1H-indol-2-yl)ethyl]-N-methylbenzamide is C[C@@H](c1cc2ccccc2[nH]1)N(C)C(=O)c1ccc(CCC(C)(C)O)cc1.
What is the InChIKey of 4-(3-hydroxy-3-methylbutyl)-N-[(1S)-1-(1H-indol-2-yl)ethyl]-N-methylbenzamide?
The InChIKey is OSMCVUFEIIWNKQ-INIZCTEOSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-16(21-15-19-7-5-6-8-20(19)24-21)25(4)22(26)18-11-9-17(10-12-18)13-14-23(2,3)27/h5-12,15-16,24,27H,13-14H2,1-4H3/t16-/m0/s1.
What are the key properties of 4-(3-hydroxy-3-methylbutyl)-N-[(1S)-1-(1H-indol-2-yl)ethyl]-N-methylbenzamide?
4-(3-hydroxy-3-methylbutyl)-N-[(1S)-1-(1H-indol-2-yl)ethyl]-N-methylbenzamide has a molecular weight of 364.49 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylbutyl)-N-[(1S)-1-(1H-indol-2-yl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 95884884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).