methyl N-[(2S)-3-methyl-1-oxo-1-(2-propan-2-yl-2,3-dihydroindol-1-yl)butan-2-yl]carbamate

C18H26N2O3 — CID 68573637

IUPACmethyl N-[(2S)-3-methyl-1-oxo-1-(2-propan-2-yl-2,3-dihydroindol-1-yl)butan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)N1c2ccccc2CC1C(C)C)C(C)C
InChIInChI=1S/C18H26N2O3/c1-11(2)15-10-13-8-6-7-9-14(13)20(15)17(21)16(12(3)4)19-18(22)23-5/h6-9,11-12,15-16H,10H2,1-5H3,(H,19,22)/t15?,16-/m0/s1
InChIKeyRAXURBRMSRFYHN-LYKKTTPLSA-N
MW318.42 g/mol
LogP2.98
Rot. Bonds4

About methyl N-[(2S)-3-methyl-1-oxo-1-(2-propan-2-yl-2,3-dihydroindol-1-yl)butan-2-yl]carbamate

methyl N-[(2S)-3-methyl-1-oxo-1-(2-propan-2-yl-2,3-dihydroindol-1-yl)butan-2-yl]carbamate (PubChem CID 68573637) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is methyl N-[(2S)-3-methyl-1-oxo-1-(2-propan-2-yl-2,3-dihydroindol-1-yl)butan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-3-methyl-1-oxo-1-(2-propan-2-yl-2,3-dihydroindol-1-yl)butan-2-yl]carbamate
PubChem CID68573637
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Namemethyl N-[(2S)-3-methyl-1-oxo-1-(2-propan-2-yl-2,3-dihydroindol-1-yl)butan-2-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)N1c2ccccc2CC1C(C)C)C(C)C
InChIInChI=1S/C18H26N2O3/c1-11(2)15-10-13-8-6-7-9-14(13)20(15)17(21)16(12(3)4)19-18(22)23-5/h6-9,11-12,15-16H,10H2,1-5H3,(H,19,22)/t15?,16-/m0/s1
InChIKeyRAXURBRMSRFYHN-LYKKTTPLSA-N
XLogP2.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-3-methyl-1-oxo-1-(2-propan-2-yl-2,3-dihydroindol-1-yl)butan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-3-methyl-1-oxo-1-(2-propan-2-yl-2,3-dihydroindol-1-yl)butan-2-yl]carbamate (CID 68573637) is methyl N-[(2S)-3-methyl-1-oxo-1-(2-propan-2-yl-2,3-dihydroindol-1-yl)butan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-3-methyl-1-oxo-1-(2-propan-2-yl-2,3-dihydroindol-1-yl)butan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-3-methyl-1-oxo-1-(2-propan-2-yl-2,3-dihydroindol-1-yl)butan-2-yl]carbamate is COC(=O)N[C@H](C(=O)N1c2ccccc2CC1C(C)C)C(C)C.
What is the InChIKey of methyl N-[(2S)-3-methyl-1-oxo-1-(2-propan-2-yl-2,3-dihydroindol-1-yl)butan-2-yl]carbamate?
The InChIKey is RAXURBRMSRFYHN-LYKKTTPLSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-11(2)15-10-13-8-6-7-9-14(13)20(15)17(21)16(12(3)4)19-18(22)23-5/h6-9,11-12,15-16H,10H2,1-5H3,(H,19,22)/t15?,16-/m0/s1.
What are the key properties of methyl N-[(2S)-3-methyl-1-oxo-1-(2-propan-2-yl-2,3-dihydroindol-1-yl)butan-2-yl]carbamate?
methyl N-[(2S)-3-methyl-1-oxo-1-(2-propan-2-yl-2,3-dihydroindol-1-yl)butan-2-yl]carbamate has a molecular weight of 318.42 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-3-methyl-1-oxo-1-(2-propan-2-yl-2,3-dihydroindol-1-yl)butan-2-yl]carbamate is sourced from PubChem (CID 68573637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).