tert-butyl N-[(1R,2R)-2-(4-hydroxy-2-oxo-3-phenylbutyl)-2,3-dihydro-1H-inden-1-yl]carbamate

C24H29NO4 — CID 160671581

IUPACtert-butyl N-[(1R,2R)-2-(4-hydroxy-2-oxo-3-phenylbutyl)-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@@H]1CC(=O)C(CO)c1ccccc1
InChIInChI=1S/C24H29NO4/c1-24(2,3)29-23(28)25-22-18(13-17-11-7-8-12-19(17)22)14-21(27)20(15-26)16-9-5-4-6-10-16/h4-12,18,20,22,26H,13-15H2,1-3H3,(H,25,28)/t18-,20?,22-/m1/s1
InChIKeySXGQSWWCQRLIML-HCNFZCTASA-N
MW395.50 g/mol
LogP4.16
Rot. Bonds6

About tert-butyl N-[(1R,2R)-2-(4-hydroxy-2-oxo-3-phenylbutyl)-2,3-dihydro-1H-inden-1-yl]carbamate

tert-butyl N-[(1R,2R)-2-(4-hydroxy-2-oxo-3-phenylbutyl)-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 160671581) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-2-(4-hydroxy-2-oxo-3-phenylbutyl)-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-2-(4-hydroxy-2-oxo-3-phenylbutyl)-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID160671581
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Nametert-butyl N-[(1R,2R)-2-(4-hydroxy-2-oxo-3-phenylbutyl)-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@@H]1CC(=O)C(CO)c1ccccc1
InChIInChI=1S/C24H29NO4/c1-24(2,3)29-23(28)25-22-18(13-17-11-7-8-12-19(17)22)14-21(27)20(15-26)16-9-5-4-6-10-16/h4-12,18,20,22,26H,13-15H2,1-3H3,(H,25,28)/t18-,20?,22-/m1/s1
InChIKeySXGQSWWCQRLIML-HCNFZCTASA-N
XLogP4.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(1R,2R)-2-(4-hydroxy-2-oxo-3-phenylbutyl)-2,3-dihydro-1H-inden-1-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1R,2R)-2-(4-hydroxy-2-oxo-3-phenylbutyl)-2,3-dihydro-1H-inden-1-yl]carbamate;3-hydroxy-2-phenylpropanoic acid
CID 160671580
tert-butyl N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142301737
tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965
tert-butyl N-[(2R)-2-[[(2S)-2-phenylpropanoyl]amino]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 130292738
3-hydroxy-N-[(2S)-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]-2-phenylpropanamide
CID 130292861
tert-butyl N-[(1R)-1-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamate
CID 59684529
tert-butyl N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 164603518
tert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate
CID 91260238
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 170945283
tert-butyl N-[(1S)-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2-oxo-1-phenylethyl]carbamate
CID 101461135
(2S)-2-amino-2-(4-fluorophenyl)acetic acid;tert-butyl N-[(1S)-1-(4-fluorophenyl)-3-(1-methoxy-2,3-dihydro-1H-inden-2-yl)-2-oxopropyl]carbamate;(2S)-2-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 158948041
tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate
CID 107862559

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R)-2-(4-hydroxy-2-oxo-3-phenylbutyl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-2-(4-hydroxy-2-oxo-3-phenylbutyl)-2,3-dihydro-1H-inden-1-yl]carbamate (CID 160671581) is tert-butyl N-[(1R,2R)-2-(4-hydroxy-2-oxo-3-phenylbutyl)-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-2-(4-hydroxy-2-oxo-3-phenylbutyl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-2-(4-hydroxy-2-oxo-3-phenylbutyl)-2,3-dihydro-1H-inden-1-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1c2ccccc2C[C@@H]1CC(=O)C(CO)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1R,2R)-2-(4-hydroxy-2-oxo-3-phenylbutyl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is SXGQSWWCQRLIML-HCNFZCTASA-N. The full InChI is InChI=1S/C24H29NO4/c1-24(2,3)29-23(28)25-22-18(13-17-11-7-8-12-19(17)22)14-21(27)20(15-26)16-9-5-4-6-10-16/h4-12,18,20,22,26H,13-15H2,1-3H3,(H,25,28)/t18-,20?,22-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R)-2-(4-hydroxy-2-oxo-3-phenylbutyl)-2,3-dihydro-1H-inden-1-yl]carbamate?
tert-butyl N-[(1R,2R)-2-(4-hydroxy-2-oxo-3-phenylbutyl)-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 395.50 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-2-(4-hydroxy-2-oxo-3-phenylbutyl)-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 160671581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).