N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide

C24H31N3O2 — CID 23648349

IUPACN-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCN2CCc3ccccc32)c1
InChIInChI=1S/C24H31N3O2/c1-17(2)15-21(26-23(28)20-9-6-7-18(3)16-20)24(29)25-12-14-27-13-11-19-8-4-5-10-22(19)27/h4-10,16-17,21H,11-15H2,1-3H3,(H,25,29)(H,26,28)/t21-/m0/s1
InChIKeyIYQYYEJBWONMDP-NRFANRHFSA-N
MW393.53 g/mol
LogP3.32
Rot. Bonds8

About N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide

N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide (PubChem CID 23648349) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide
PubChem CID23648349
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCN2CCc3ccccc32)c1
InChIInChI=1S/C24H31N3O2/c1-17(2)15-21(26-23(28)20-9-6-7-18(3)16-20)24(29)25-12-14-27-13-11-19-8-4-5-10-22(19)27/h4-10,16-17,21H,11-15H2,1-3H3,(H,25,29)(H,26,28)/t21-/m0/s1
InChIKeyIYQYYEJBWONMDP-NRFANRHFSA-N
XLogP3.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide (CID 23648349) is N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCN2CCc3ccccc32)c1.
What is the InChIKey of N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide?
The InChIKey is IYQYYEJBWONMDP-NRFANRHFSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-17(2)15-21(26-23(28)20-9-6-7-18(3)16-20)24(29)25-12-14-27-13-11-19-8-4-5-10-22(19)27/h4-10,16-17,21H,11-15H2,1-3H3,(H,25,29)(H,26,28)/t21-/m0/s1.
What are the key properties of N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide?
N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide has a molecular weight of 393.53 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-(2,3-dihydroindol-1-yl)ethylamino]-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 23648349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).