5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[4-propyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pentanoate

C23H42N3O5Si- — CID 20872853

IUPAC5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[4-propyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pentanoate
SMILESCCCc1cn(COCC[Si](C)(C)C)c(CC(CCCNC(=O)OC(C)(C)C)C(=O)[O-])n1
InChIInChI=1S/C23H43N3O5Si/c1-8-10-19-16-26(17-30-13-14-32(5,6)7)20(25-19)15-18(21(27)28)11-9-12-24-22(29)31-23(2,3)4/h16,18H,8-15,17H2,1-7H3,(H,24,29)(H,27,28)/p-1
InChIKeyZAAMRFYIAFFUPV-UHFFFAOYSA-M
MW468.69 g/mol
LogP3.36
Rot. Bonds14

About 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[4-propyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pentanoate

5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[4-propyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pentanoate (PubChem CID 20872853) has the molecular formula C23H42N3O5Si- and a molecular weight of 468.69 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[4-propyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pentanoate.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[4-propyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pentanoate
PubChem CID20872853
Molecular FormulaC23H42N3O5Si-
Molecular Weight468.69 g/mol
Exact Mass468.29
IUPAC Name5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[4-propyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pentanoate
SMILESCCCc1cn(COCC[Si](C)(C)C)c(CC(CCCNC(=O)OC(C)(C)C)C(=O)[O-])n1
InChIInChI=1S/C23H43N3O5Si/c1-8-10-19-16-26(17-30-13-14-32(5,6)7)20(25-19)15-18(21(27)28)11-9-12-24-22(29)31-23(2,3)4/h16,18H,8-15,17H2,1-7H3,(H,24,29)(H,27,28)/p-1
InChIKeyZAAMRFYIAFFUPV-UHFFFAOYSA-M
XLogP3.36
TPSA105.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.69
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[4-propyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pentanoate 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

5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(1-propylimidazol-4-yl)methyl]pentanoate
CID 22319388
(2S)-3-[2-carbamoyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170607207
tert-butyl N-[4-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]carbamate
CID 152533189
tert-butyl N-[5-(cyclopropylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamate
CID 176892917
(2R)-2-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 71222838
tert-butyl N-[2-[5-methoxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]ethyl]carbamate
CID 168946645
tert-butyl N-[2-(6-aminoimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate
CID 82184406
tert-butyl N-(4-propyltriazol-1-yl)carbamate
CID 141383386
tert-butyl N-[3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propyl]carbamate
CID 107094646
tert-butyl N-(4-dimethylsilyl-4-sulfanylbutyl)carbamate
CID 157236536
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-[3-[[4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoyl]amino]propyl]carbamate
CID 54577000

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[4-propyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pentanoate?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[4-propyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pentanoate (CID 20872853) is 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[4-propyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pentanoate.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[4-propyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pentanoate?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[4-propyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pentanoate is CCCc1cn(COCC[Si](C)(C)C)c(CC(CCCNC(=O)OC(C)(C)C)C(=O)[O-])n1.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[4-propyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pentanoate?
The InChIKey is ZAAMRFYIAFFUPV-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H43N3O5Si/c1-8-10-19-16-26(17-30-13-14-32(5,6)7)20(25-19)15-18(21(27)28)11-9-12-24-22(29)31-23(2,3)4/h16,18H,8-15,17H2,1-7H3,(H,24,29)(H,27,28)/p-1.
What are the key properties of 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[4-propyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pentanoate?
5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[4-propyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pentanoate has a molecular weight of 468.69 g/mol, XLogP of 3.36, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[4-propyl-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]methyl]pentanoate is sourced from PubChem (CID 20872853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).