prop-2-enyl N-[2-[(2R)-2-ethyl-4-(6-methoxy-3-pyridinyl)-2,3-dihydropyrrole-1-carbonyl]-4-methyl-5-tri(propan-2-yl)silyloxyphenyl]carbamate

C33H47N3O5Si — CID 167572058

IUPACprop-2-enyl N-[2-[(2R)-2-ethyl-4-(6-methoxy-3-pyridinyl)-2,3-dihydropyrrole-1-carbonyl]-4-methyl-5-tri(propan-2-yl)silyloxyphenyl]carbamate
SMILESC=CCOC(=O)Nc1cc(O[Si](C(C)C)(C(C)C)C(C)C)c(C)cc1C(=O)N1C=C(c2ccc(OC)nc2)C[C@H]1CC
InChIInChI=1S/C33H47N3O5Si/c1-11-15-40-33(38)35-29-18-30(41-42(21(3)4,22(5)6)23(7)8)24(9)16-28(29)32(37)36-20-26(17-27(36)12-2)25-13-14-31(39-10)34-19-25/h11,13-14,16,18-23,27H,1,12,15,17H2,2-10H3,(H,35,38)/t27-/m1/s1
InChIKeySKAYPVVIPXQTTE-HHHXNRCGSA-N
MW593.84 g/mol
LogP8.35
Rot. Bonds12

About prop-2-enyl N-[2-[(2R)-2-ethyl-4-(6-methoxy-3-pyridinyl)-2,3-dihydropyrrole-1-carbonyl]-4-methyl-5-tri(propan-2-yl)silyloxyphenyl]carbamate

prop-2-enyl N-[2-[(2R)-2-ethyl-4-(6-methoxy-3-pyridinyl)-2,3-dihydropyrrole-1-carbonyl]-4-methyl-5-tri(propan-2-yl)silyloxyphenyl]carbamate (PubChem CID 167572058) has the molecular formula C33H47N3O5Si and a molecular weight of 593.84 g/mol. Its IUPAC name is prop-2-enyl N-[2-[(2R)-2-ethyl-4-(6-methoxy-3-pyridinyl)-2,3-dihydropyrrole-1-carbonyl]-4-methyl-5-tri(propan-2-yl)silyloxyphenyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[2-[(2R)-2-ethyl-4-(6-methoxy-3-pyridinyl)-2,3-dihydropyrrole-1-carbonyl]-4-methyl-5-tri(propan-2-yl)silyloxyphenyl]carbamate
PubChem CID167572058
Molecular FormulaC33H47N3O5Si
Molecular Weight593.84 g/mol
Exact Mass593.33
IUPAC Nameprop-2-enyl N-[2-[(2R)-2-ethyl-4-(6-methoxy-3-pyridinyl)-2,3-dihydropyrrole-1-carbonyl]-4-methyl-5-tri(propan-2-yl)silyloxyphenyl]carbamate
SMILESC=CCOC(=O)Nc1cc(O[Si](C(C)C)(C(C)C)C(C)C)c(C)cc1C(=O)N1C=C(c2ccc(OC)nc2)C[C@H]1CC
InChIInChI=1S/C33H47N3O5Si/c1-11-15-40-33(38)35-29-18-30(41-42(21(3)4,22(5)6)23(7)8)24(9)16-28(29)32(37)36-20-26(17-27(36)12-2)25-13-14-31(39-10)34-19-25/h11,13-14,16,18-23,27H,1,12,15,17H2,2-10H3,(H,35,38)/t27-/m1/s1
InChIKeySKAYPVVIPXQTTE-HHHXNRCGSA-N
XLogP8.35
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.84
LogP ≤ 58.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze prop-2-enyl N-[2-[(2R)-2-ethyl-4-(6-methoxy-3-pyridinyl)-2,3-dihydropyrrole-1-carbonyl]-4-methyl-5-tri(propan-2-yl)silyloxyphenyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[2-[(2R)-2-ethyl-4-(6-methoxy-3-pyridinyl)-2,3-dihydropyrrole-1-carbonyl]-4-methyl-5-tri(propan-2-yl)silyloxyphenyl]carbamate?
The IUPAC name of prop-2-enyl N-[2-[(2R)-2-ethyl-4-(6-methoxy-3-pyridinyl)-2,3-dihydropyrrole-1-carbonyl]-4-methyl-5-tri(propan-2-yl)silyloxyphenyl]carbamate (CID 167572058) is prop-2-enyl N-[2-[(2R)-2-ethyl-4-(6-methoxy-3-pyridinyl)-2,3-dihydropyrrole-1-carbonyl]-4-methyl-5-tri(propan-2-yl)silyloxyphenyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[2-[(2R)-2-ethyl-4-(6-methoxy-3-pyridinyl)-2,3-dihydropyrrole-1-carbonyl]-4-methyl-5-tri(propan-2-yl)silyloxyphenyl]carbamate?
The canonical SMILES for prop-2-enyl N-[2-[(2R)-2-ethyl-4-(6-methoxy-3-pyridinyl)-2,3-dihydropyrrole-1-carbonyl]-4-methyl-5-tri(propan-2-yl)silyloxyphenyl]carbamate is C=CCOC(=O)Nc1cc(O[Si](C(C)C)(C(C)C)C(C)C)c(C)cc1C(=O)N1C=C(c2ccc(OC)nc2)C[C@H]1CC.
What is the InChIKey of prop-2-enyl N-[2-[(2R)-2-ethyl-4-(6-methoxy-3-pyridinyl)-2,3-dihydropyrrole-1-carbonyl]-4-methyl-5-tri(propan-2-yl)silyloxyphenyl]carbamate?
The InChIKey is SKAYPVVIPXQTTE-HHHXNRCGSA-N. The full InChI is InChI=1S/C33H47N3O5Si/c1-11-15-40-33(38)35-29-18-30(41-42(21(3)4,22(5)6)23(7)8)24(9)16-28(29)32(37)36-20-26(17-27(36)12-2)25-13-14-31(39-10)34-19-25/h11,13-14,16,18-23,27H,1,12,15,17H2,2-10H3,(H,35,38)/t27-/m1/s1.
What are the key properties of prop-2-enyl N-[2-[(2R)-2-ethyl-4-(6-methoxy-3-pyridinyl)-2,3-dihydropyrrole-1-carbonyl]-4-methyl-5-tri(propan-2-yl)silyloxyphenyl]carbamate?
prop-2-enyl N-[2-[(2R)-2-ethyl-4-(6-methoxy-3-pyridinyl)-2,3-dihydropyrrole-1-carbonyl]-4-methyl-5-tri(propan-2-yl)silyloxyphenyl]carbamate has a molecular weight of 593.84 g/mol, XLogP of 8.35, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[2-[(2R)-2-ethyl-4-(6-methoxy-3-pyridinyl)-2,3-dihydropyrrole-1-carbonyl]-4-methyl-5-tri(propan-2-yl)silyloxyphenyl]carbamate is sourced from PubChem (CID 167572058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).