tert-butyl N-[4-[benzyl(1H-indene-2-carbonyl)amino]cyclohexyl]carbamate

C28H34N2O3 — CID 59201768

IUPACtert-butyl N-[4-[benzyl(1H-indene-2-carbonyl)amino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(N(Cc2ccccc2)C(=O)C2=Cc3ccccc3C2)CC1
InChIInChI=1S/C28H34N2O3/c1-28(2,3)33-27(32)29-24-13-15-25(16-14-24)30(19-20-9-5-4-6-10-20)26(31)23-17-21-11-7-8-12-22(21)18-23/h4-12,17,24-25H,13-16,18-19H2,1-3H3,(H,29,32)
InChIKeyRTBTXJHJOPPSAA-UHFFFAOYSA-N
MW446.59 g/mol
LogP5.49
Rot. Bonds5

About tert-butyl N-[4-[benzyl(1H-indene-2-carbonyl)amino]cyclohexyl]carbamate

tert-butyl N-[4-[benzyl(1H-indene-2-carbonyl)amino]cyclohexyl]carbamate (PubChem CID 59201768) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is tert-butyl N-[4-[benzyl(1H-indene-2-carbonyl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[benzyl(1H-indene-2-carbonyl)amino]cyclohexyl]carbamate
PubChem CID59201768
Molecular FormulaC28H34N2O3
Molecular Weight446.59 g/mol
Exact Mass446.26
IUPAC Nametert-butyl N-[4-[benzyl(1H-indene-2-carbonyl)amino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(N(Cc2ccccc2)C(=O)C2=Cc3ccccc3C2)CC1
InChIInChI=1S/C28H34N2O3/c1-28(2,3)33-27(32)29-24-13-15-25(16-14-24)30(19-20-9-5-4-6-10-20)26(31)23-17-21-11-7-8-12-22(21)18-23/h4-12,17,24-25H,13-16,18-19H2,1-3H3,(H,29,32)
InChIKeyRTBTXJHJOPPSAA-UHFFFAOYSA-N
XLogP5.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[4-[benzyl(1H-indene-2-carbonyl)amino]cyclohexyl]carbamate with MolForge

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Related Compounds

benzyl N-methyl-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
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methyl (3R)-3-(dibenzylamino)cyclopentane-1-carboxylate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 159448743
benzyl N-[2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]ethyl]carbamate
CID 177028190
tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane
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tert-butyl N-(4-hydroxy-4-phenylcyclohexyl)carbamate
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tert-butyl N-[4-[(3-fluorophenyl)methylamino]cyclohexyl]carbamate
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benzyl-[(3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-3-yl]carbamic acid
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tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[benzyl(1H-indene-2-carbonyl)amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[benzyl(1H-indene-2-carbonyl)amino]cyclohexyl]carbamate (CID 59201768) is tert-butyl N-[4-[benzyl(1H-indene-2-carbonyl)amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[benzyl(1H-indene-2-carbonyl)amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[benzyl(1H-indene-2-carbonyl)amino]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(N(Cc2ccccc2)C(=O)C2=Cc3ccccc3C2)CC1.
What is the InChIKey of tert-butyl N-[4-[benzyl(1H-indene-2-carbonyl)amino]cyclohexyl]carbamate?
The InChIKey is RTBTXJHJOPPSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3/c1-28(2,3)33-27(32)29-24-13-15-25(16-14-24)30(19-20-9-5-4-6-10-20)26(31)23-17-21-11-7-8-12-22(21)18-23/h4-12,17,24-25H,13-16,18-19H2,1-3H3,(H,29,32).
What are the key properties of tert-butyl N-[4-[benzyl(1H-indene-2-carbonyl)amino]cyclohexyl]carbamate?
tert-butyl N-[4-[benzyl(1H-indene-2-carbonyl)amino]cyclohexyl]carbamate has a molecular weight of 446.59 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[benzyl(1H-indene-2-carbonyl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 59201768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).