tert-butyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propan-2-yl]carbamate;molecular hydrogen

C23H34N2O4 — CID 177368449

IUPACtert-butyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propan-2-yl]carbamate;molecular hydrogen
SMILESCC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc2c(c1)CCC2=O)C(C1CC1)C1CC1.[H][H].[H][H]
InChIInChI=1S/C23H30N2O4.2H2/c1-23(2,3)29-22(28)25-20(19(13-4-5-13)14-6-7-14)21(27)24-16-9-10-17-15(12-16)8-11-18(17)26;;/h9-10,12-14,19-20H,4-8,11H2,1-3H3,(H,24,27)(H,25,28);2*1H/t20-;;/m0../s1
InChIKeyOYWKVQPMSSWJGU-FJSYBICCSA-N
MW402.54 g/mol
LogP4.58
Rot. Bonds6

About tert-butyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propan-2-yl]carbamate;molecular hydrogen

tert-butyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propan-2-yl]carbamate;molecular hydrogen (PubChem CID 177368449) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propan-2-yl]carbamate;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propan-2-yl]carbamate;molecular hydrogen
PubChem CID177368449
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Nametert-butyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propan-2-yl]carbamate;molecular hydrogen
SMILESCC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc2c(c1)CCC2=O)C(C1CC1)C1CC1.[H][H].[H][H]
InChIInChI=1S/C23H30N2O4.2H2/c1-23(2,3)29-22(28)25-20(19(13-4-5-13)14-6-7-14)21(27)24-16-9-10-17-15(12-16)8-11-18(17)26;;/h9-10,12-14,19-20H,4-8,11H2,1-3H3,(H,24,27)(H,25,28);2*1H/t20-;;/m0../s1
InChIKeyOYWKVQPMSSWJGU-FJSYBICCSA-N
XLogP4.58
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propan-2-yl]carbamate;molecular hydrogen with MolForge

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Related Compounds

tert-butyl N-[(2S)-1-[[(1R)-1-[[(2R)-2-acetamido-2-cyclopropylacetyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]carbamate
CID 177368487
tert-butyl N-[(2S)-1-[(2-bromopyrimidin-5-yl)amino]-3,3-dicyclohexyl-1-oxopropan-2-yl]carbamate
CID 175433675
tert-butyl N-[1-[(6-bromo-5-methoxy-3-pyridinyl)amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]carbamate
CID 166888708
tert-butyl N-[1,1-dicyclopropyl-3-[4-(1,4-dimethylpyrazol-5-yl)-3-(2-trimethylsilylethoxymethyl)anilino]-3-oxopropan-2-yl]carbamate
CID 175152196
tert-butyl N-[1,1-dicyclopropyl-3-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-(2-trimethylsilylethoxymethyl)anilino]-3-oxopropan-2-yl]carbamate
CID 175152188
tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate
CID 134368267
tert-butyl N-(1-amino-3,3-dicyclopropyl-1-oxopropan-2-yl)carbamate
CID 166470828
tert-butyl N-[(2S)-1-[(5-bromo-6-chloro-2-pyridinyl)amino]-3,3-dicyclohexyl-1-oxopropan-2-yl]carbamate
CID 175433303
tert-butyl N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 110677956
tert-butyl N-(1-amino-3,3-dicyclohexyl-1-oxopropan-2-yl)carbamate
CID 175433446
5-[[2-[[(Z)-4-amino-2-propan-2-yliminobut-3-enoyl]amino]-3,3-dicyclopropylpropanoyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-1-carboxylic acid
CID 177368507
tert-butyl N-[(2S)-1-(4-iodoanilino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 102474491

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propan-2-yl]carbamate;molecular hydrogen?
The IUPAC name of tert-butyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propan-2-yl]carbamate;molecular hydrogen (CID 177368449) is tert-butyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propan-2-yl]carbamate;molecular hydrogen.
What is the SMILES notation for tert-butyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propan-2-yl]carbamate;molecular hydrogen?
The canonical SMILES for tert-butyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propan-2-yl]carbamate;molecular hydrogen is CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc2c(c1)CCC2=O)C(C1CC1)C1CC1.[H][H].[H][H].
What is the InChIKey of tert-butyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propan-2-yl]carbamate;molecular hydrogen?
The InChIKey is OYWKVQPMSSWJGU-FJSYBICCSA-N. The full InChI is InChI=1S/C23H30N2O4.2H2/c1-23(2,3)29-22(28)25-20(19(13-4-5-13)14-6-7-14)21(27)24-16-9-10-17-15(12-16)8-11-18(17)26;;/h9-10,12-14,19-20H,4-8,11H2,1-3H3,(H,24,27)(H,25,28);2*1H/t20-;;/m0../s1.
What are the key properties of tert-butyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propan-2-yl]carbamate;molecular hydrogen?
tert-butyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propan-2-yl]carbamate;molecular hydrogen has a molecular weight of 402.54 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propan-2-yl]carbamate;molecular hydrogen is sourced from PubChem (CID 177368449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).