tert-butyl N-[(1S)-2-cyclohexyl-1-[5-formyl-4-[(4-phenylmethoxyphenyl)methyl]oxolan-2-yl]ethyl]carbamate

C32H43NO5 — CID 174348059

IUPACtert-butyl N-[(1S)-2-cyclohexyl-1-[5-formyl-4-[(4-phenylmethoxyphenyl)methyl]oxolan-2-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C1CC(Cc2ccc(OCc3ccccc3)cc2)C(C=O)O1
InChIInChI=1S/C32H43NO5/c1-32(2,3)38-31(35)33-28(19-23-10-6-4-7-11-23)29-20-26(30(21-34)37-29)18-24-14-16-27(17-15-24)36-22-25-12-8-5-9-13-25/h5,8-9,12-17,21,23,26,28-30H,4,6-7,10-11,18-20,22H2,1-3H3,(H,33,35)/t26?,28-,29?,30?/m0/s1
InChIKeyKDIYNFJYCGYBLK-JQWJHRRBSA-N
MW521.70 g/mol
LogP6.64
Rot. Bonds10

About tert-butyl N-[(1S)-2-cyclohexyl-1-[5-formyl-4-[(4-phenylmethoxyphenyl)methyl]oxolan-2-yl]ethyl]carbamate

tert-butyl N-[(1S)-2-cyclohexyl-1-[5-formyl-4-[(4-phenylmethoxyphenyl)methyl]oxolan-2-yl]ethyl]carbamate (PubChem CID 174348059) has the molecular formula C32H43NO5 and a molecular weight of 521.70 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2-cyclohexyl-1-[5-formyl-4-[(4-phenylmethoxyphenyl)methyl]oxolan-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2-cyclohexyl-1-[5-formyl-4-[(4-phenylmethoxyphenyl)methyl]oxolan-2-yl]ethyl]carbamate
PubChem CID174348059
Molecular FormulaC32H43NO5
Molecular Weight521.70 g/mol
Exact Mass521.31
IUPAC Nametert-butyl N-[(1S)-2-cyclohexyl-1-[5-formyl-4-[(4-phenylmethoxyphenyl)methyl]oxolan-2-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C1CC(Cc2ccc(OCc3ccccc3)cc2)C(C=O)O1
InChIInChI=1S/C32H43NO5/c1-32(2,3)38-31(35)33-28(19-23-10-6-4-7-11-23)29-20-26(30(21-34)37-29)18-24-14-16-27(17-15-24)36-22-25-12-8-5-9-13-25/h5,8-9,12-17,21,23,26,28-30H,4,6-7,10-11,18-20,22H2,1-3H3,(H,33,35)/t26?,28-,29?,30?/m0/s1
InChIKeyKDIYNFJYCGYBLK-JQWJHRRBSA-N
XLogP6.64
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.70
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(1S)-2-cyclohexyl-1-[5-formyl-4-[(4-phenylmethoxyphenyl)methyl]oxolan-2-yl]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2R)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
CID 51356831
tert-butyl N-[2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethyl]carbamate
CID 143558141
benzyl (2S)-3-cyclohexyl-2-[[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 59709687
methyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylmethoxyphenyl)pent-2-enoate
CID 69415648
tert-butyl N-[(1S)-1-[(2S,4S)-4-[(2-cyanophenyl)methyl]-5-oxooxolan-2-yl]-2-cyclohexylethyl]carbamate
CID 67718457
tert-butyl N-[(2R)-1-(4-phenylmethoxyphenyl)but-3-en-2-yl]carbamate
CID 51357113
tert-butyl N-[(1R)-3-oxo-1-(4-phenylmethoxyphenyl)propyl]carbamate
CID 125411765
tert-butyl N-[(1S)-2-cyclohexyl-1-[(2S,4R)-4-[(3,4-dichlorophenyl)methyl]-5-oxooxolan-2-yl]ethyl]carbamate
CID 15708326
tert-butyl N-[(1R)-2-hydroxy-1-[(5S)-3-phenylmethoxy-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate
CID 24828327
tert-butyl N-[1-bromo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
CID 19261588
benzyl (4S)-4-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 101037824
[(1S,3R)-3-methylcyclohexyl] (E,4S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylmethoxyphenyl)pent-2-enoate
CID 155452149

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-2-cyclohexyl-1-[5-formyl-4-[(4-phenylmethoxyphenyl)methyl]oxolan-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2-cyclohexyl-1-[5-formyl-4-[(4-phenylmethoxyphenyl)methyl]oxolan-2-yl]ethyl]carbamate (CID 174348059) is tert-butyl N-[(1S)-2-cyclohexyl-1-[5-formyl-4-[(4-phenylmethoxyphenyl)methyl]oxolan-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2-cyclohexyl-1-[5-formyl-4-[(4-phenylmethoxyphenyl)methyl]oxolan-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2-cyclohexyl-1-[5-formyl-4-[(4-phenylmethoxyphenyl)methyl]oxolan-2-yl]ethyl]carbamate is CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C1CC(Cc2ccc(OCc3ccccc3)cc2)C(C=O)O1.
What is the InChIKey of tert-butyl N-[(1S)-2-cyclohexyl-1-[5-formyl-4-[(4-phenylmethoxyphenyl)methyl]oxolan-2-yl]ethyl]carbamate?
The InChIKey is KDIYNFJYCGYBLK-JQWJHRRBSA-N. The full InChI is InChI=1S/C32H43NO5/c1-32(2,3)38-31(35)33-28(19-23-10-6-4-7-11-23)29-20-26(30(21-34)37-29)18-24-14-16-27(17-15-24)36-22-25-12-8-5-9-13-25/h5,8-9,12-17,21,23,26,28-30H,4,6-7,10-11,18-20,22H2,1-3H3,(H,33,35)/t26?,28-,29?,30?/m0/s1.
What are the key properties of tert-butyl N-[(1S)-2-cyclohexyl-1-[5-formyl-4-[(4-phenylmethoxyphenyl)methyl]oxolan-2-yl]ethyl]carbamate?
tert-butyl N-[(1S)-2-cyclohexyl-1-[5-formyl-4-[(4-phenylmethoxyphenyl)methyl]oxolan-2-yl]ethyl]carbamate has a molecular weight of 521.70 g/mol, XLogP of 6.64, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2-cyclohexyl-1-[5-formyl-4-[(4-phenylmethoxyphenyl)methyl]oxolan-2-yl]ethyl]carbamate is sourced from PubChem (CID 174348059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).