tert-butyl N-methyl-N-[1-(1-methylindol-3-yl)-3-oxopropan-2-yl]carbamate

C18H24N2O3 — CID 18352713

IUPACtert-butyl N-methyl-N-[1-(1-methylindol-3-yl)-3-oxopropan-2-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C(C=O)Cc1cn(C)c2ccccc12
InChIInChI=1S/C18H24N2O3/c1-18(2,3)23-17(22)20(5)14(12-21)10-13-11-19(4)16-9-7-6-8-15(13)16/h6-9,11-12,14H,10H2,1-5H3
InChIKeyYNEAFPHVAQJCHJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.16
Rot. Bonds4

About tert-butyl N-methyl-N-[1-(1-methylindol-3-yl)-3-oxopropan-2-yl]carbamate

tert-butyl N-methyl-N-[1-(1-methylindol-3-yl)-3-oxopropan-2-yl]carbamate (PubChem CID 18352713) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-(1-methylindol-3-yl)-3-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-(1-methylindol-3-yl)-3-oxopropan-2-yl]carbamate
PubChem CID18352713
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nametert-butyl N-methyl-N-[1-(1-methylindol-3-yl)-3-oxopropan-2-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C(C=O)Cc1cn(C)c2ccccc12
InChIInChI=1S/C18H24N2O3/c1-18(2,3)23-17(22)20(5)14(12-21)10-13-11-19(4)16-9-7-6-8-15(13)16/h6-9,11-12,14H,10H2,1-5H3
InChIKeyYNEAFPHVAQJCHJ-UHFFFAOYSA-N
XLogP3.16
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]indole-1-carboxylic acid
CID 56619053
methyl 2-formyl-3-(1-methylindol-3-yl)propanoate
CID 123858693
3-(1-methylindol-3-yl)-2-[[(2R)-3-(1-methylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
CID 166669213
(2-methylpropan-2-yl)oxycarbonyl 2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]acetate
CID 126483127
tert-butyl N-[(1-methylindol-3-yl)methylamino]carbamate
CID 107236890
(2S)-2-amino-4,4-dimethyl-1-(1-methylindol-3-yl)pentan-3-one;ethane;molecular hydrogen
CID 177060885
tert-butyl N-[3-(1-methylindol-3-yl)-1-oxo-1-(3,4,5-trimethoxyanilino)propan-2-yl]carbamate
CID 135637960
(4S)-4-(methylamino)-5-(1-methylindol-3-yl)pentan-2-one
CID 135189876
tert-butyl 2-[[2-acetamido-3-(1-methylindol-3-yl)propanoyl]amino]-5,5-dimethylhexanoate
CID 175532862
tert-butyl (2S)-2-[[(2S)-2-(methylamino)-3-(1-methylindol-3-yl)propanoyl]amino]-5-oxohept-6-enoate
CID 175634613
3-amino-4-(1-methylindol-3-yl)butanoic acid
CID 53487335
N-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide
CID 115166394

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-(1-methylindol-3-yl)-3-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-(1-methylindol-3-yl)-3-oxopropan-2-yl]carbamate (CID 18352713) is tert-butyl N-methyl-N-[1-(1-methylindol-3-yl)-3-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-(1-methylindol-3-yl)-3-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-(1-methylindol-3-yl)-3-oxopropan-2-yl]carbamate is CN(C(=O)OC(C)(C)C)C(C=O)Cc1cn(C)c2ccccc12.
What is the InChIKey of tert-butyl N-methyl-N-[1-(1-methylindol-3-yl)-3-oxopropan-2-yl]carbamate?
The InChIKey is YNEAFPHVAQJCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-18(2,3)23-17(22)20(5)14(12-21)10-13-11-19(4)16-9-7-6-8-15(13)16/h6-9,11-12,14H,10H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[1-(1-methylindol-3-yl)-3-oxopropan-2-yl]carbamate?
tert-butyl N-methyl-N-[1-(1-methylindol-3-yl)-3-oxopropan-2-yl]carbamate has a molecular weight of 316.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-(1-methylindol-3-yl)-3-oxopropan-2-yl]carbamate is sourced from PubChem (CID 18352713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).