prop-2-enyl N-[2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate

C32H44N2O7Si — CID 101047710

About prop-2-enyl N-[2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate

prop-2-enyl N-[2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate (PubChem CID 101047710) has the molecular formula C32H44N2O7Si and a molecular weight of 596.80 g/mol. Its IUPAC name is prop-2-enyl N-[2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate.

Molecular Properties

• Compound Name: prop-2-enyl N-[2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate
• PubChem CID: 101047710
• Molecular Formula: C32H44N2O7Si
• Molecular Weight: 596.80 g/mol
• Exact Mass: 596.29
• IUPAC Name: prop-2-enyl N-[2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate
• SMILES: C=CCOC(=O)Nc1cc(OCc2ccccc2)c(OC)cc1C(=O)N1C=C(CCO)C[C@H]1CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C32H44N2O7Si/c1-8-16-39-31(37)33-27-19-29(40-21-23-12-10-9-11-13-23)28(38-5)18-26(27)30(36)34-20-24(14-15-35)17-25(34)22-41-42(6,7)32(2,3)4/h8-13,18-20,25,35H,1,14-17,21-22H2,2-7H3,(H,33,37)/t25-/m0/s1
• InChIKey: IPFRVIFGNFTHLL-VWLOTQADSA-N
• XLogP: 6.51
• TPSA: 106.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.80
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate?

The IUPAC name of prop-2-enyl N-[2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate (CID 101047710) is prop-2-enyl N-[2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate.

What is the SMILES notation for prop-2-enyl N-[2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate?

The canonical SMILES for prop-2-enyl N-[2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate is C=CCOC(=O)Nc1cc(OCc2ccccc2)c(OC)cc1C(=O)N1C=C(CCO)C[C@H]1CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of prop-2-enyl N-[2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate?

The InChIKey is IPFRVIFGNFTHLL-VWLOTQADSA-N. The full InChI is InChI=1S/C32H44N2O7Si/c1-8-16-39-31(37)33-27-19-29(40-21-23-12-10-9-11-13-23)28(38-5)18-26(27)30(36)34-20-24(14-15-35)17-25(34)22-41-42(6,7)32(2,3)4/h8-13,18-20,25,35H,1,14-17,21-22H2,2-7H3,(H,33,37)/t25-/m0/s1.

What are the key properties of prop-2-enyl N-[2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate?

prop-2-enyl N-[2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate has a molecular weight of 596.80 g/mol, XLogP of 6.51, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for prop-2-enyl N-[2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate is sourced from PubChem (CID 101047710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).