ethyl N-[(1S,2R)-1-pyridin-4-yl-2-tri(propan-2-yl)silyloxypropyl]carbamate

C20H36N2O3Si — CID 56990103

IUPACethyl N-[(1S,2R)-1-pyridin-4-yl-2-tri(propan-2-yl)silyloxypropyl]carbamate
SMILESCCOC(=O)N[C@@H](c1ccncc1)[C@@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H36N2O3Si/c1-9-24-20(23)22-19(18-10-12-21-13-11-18)17(8)25-26(14(2)3,15(4)5)16(6)7/h10-17,19H,9H2,1-8H3,(H,22,23)/t17-,19-/m1/s1
InChIKeyIYFBSTWLKQVHAV-IEBWSBKVSA-N
MW380.61 g/mol
LogP5.45
Rot. Bonds9

About ethyl N-[(1S,2R)-1-pyridin-4-yl-2-tri(propan-2-yl)silyloxypropyl]carbamate

ethyl N-[(1S,2R)-1-pyridin-4-yl-2-tri(propan-2-yl)silyloxypropyl]carbamate (PubChem CID 56990103) has the molecular formula C20H36N2O3Si and a molecular weight of 380.61 g/mol. Its IUPAC name is ethyl N-[(1S,2R)-1-pyridin-4-yl-2-tri(propan-2-yl)silyloxypropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(1S,2R)-1-pyridin-4-yl-2-tri(propan-2-yl)silyloxypropyl]carbamate
PubChem CID56990103
Molecular FormulaC20H36N2O3Si
Molecular Weight380.61 g/mol
Exact Mass380.25
IUPAC Nameethyl N-[(1S,2R)-1-pyridin-4-yl-2-tri(propan-2-yl)silyloxypropyl]carbamate
SMILESCCOC(=O)N[C@@H](c1ccncc1)[C@@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H36N2O3Si/c1-9-24-20(23)22-19(18-10-12-21-13-11-18)17(8)25-26(14(2)3,15(4)5)16(6)7/h10-17,19H,9H2,1-8H3,(H,22,23)/t17-,19-/m1/s1
InChIKeyIYFBSTWLKQVHAV-IEBWSBKVSA-N
XLogP5.45
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.61
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(1S)-2,2-dichloro-1-(4-fluorophenyl)ethyl]carbamate
CID 7039743
2,2,2-trifluoroethyl N-[(1R)-1-pyridin-4-ylethyl]carbamate
CID 81410693
diethyl 2-[(S)-(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]propanedioate
CID 7323007
ethyl 3-oxo-2-pyridin-4-ylbutanoate
CID 54340511
ethyl 2-methyl-3-pyridin-4-ylpropanoate
CID 22939399
ethyl 4-methyl-3-pyridin-4-ylhexanoate
CID 171748001
2-[(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]-3-methylbutanoic acid
CID 53405903
ethyl 5-hydroxy-3-oxo-5-pyridin-4-ylpentanoate
CID 71733856
diethyl 3-oxo-2-pyridin-4-ylpentanedioate
CID 22022924
N-ethyl-2-methyl-1-pyridin-4-ylpropan-1-amine
CID 60820043
ethyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate
CID 126836049
ethyl (2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate
CID 125449408

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(1S,2R)-1-pyridin-4-yl-2-tri(propan-2-yl)silyloxypropyl]carbamate?
The IUPAC name of ethyl N-[(1S,2R)-1-pyridin-4-yl-2-tri(propan-2-yl)silyloxypropyl]carbamate (CID 56990103) is ethyl N-[(1S,2R)-1-pyridin-4-yl-2-tri(propan-2-yl)silyloxypropyl]carbamate.
What is the SMILES notation for ethyl N-[(1S,2R)-1-pyridin-4-yl-2-tri(propan-2-yl)silyloxypropyl]carbamate?
The canonical SMILES for ethyl N-[(1S,2R)-1-pyridin-4-yl-2-tri(propan-2-yl)silyloxypropyl]carbamate is CCOC(=O)N[C@@H](c1ccncc1)[C@@H](C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of ethyl N-[(1S,2R)-1-pyridin-4-yl-2-tri(propan-2-yl)silyloxypropyl]carbamate?
The InChIKey is IYFBSTWLKQVHAV-IEBWSBKVSA-N. The full InChI is InChI=1S/C20H36N2O3Si/c1-9-24-20(23)22-19(18-10-12-21-13-11-18)17(8)25-26(14(2)3,15(4)5)16(6)7/h10-17,19H,9H2,1-8H3,(H,22,23)/t17-,19-/m1/s1.
What are the key properties of ethyl N-[(1S,2R)-1-pyridin-4-yl-2-tri(propan-2-yl)silyloxypropyl]carbamate?
ethyl N-[(1S,2R)-1-pyridin-4-yl-2-tri(propan-2-yl)silyloxypropyl]carbamate has a molecular weight of 380.61 g/mol, XLogP of 5.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(1S,2R)-1-pyridin-4-yl-2-tri(propan-2-yl)silyloxypropyl]carbamate is sourced from PubChem (CID 56990103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).