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

C32H44N2O7Si — CID 22046680

IUPACprop-2-enyl N-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate
SMILESC=CCOC(=O)Nc1cc(OCc2ccccc2)c(OC)cc1C(=O)N1C=C(C(C)O)CC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H44N2O7Si/c1-9-15-39-31(37)33-27-18-29(40-20-23-13-11-10-12-14-23)28(38-6)17-26(27)30(36)34-19-24(22(2)35)16-25(34)21-41-42(7,8)32(3,4)5/h9-14,17-19,22,25,35H,1,15-16,20-21H2,2-8H3,(H,33,37)
InChIKeyBEUHONRNTOVXCJ-UHFFFAOYSA-N
MW596.80 g/mol
LogP6.51
Rot. Bonds12

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

prop-2-enyl N-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate (PubChem CID 22046680) has the molecular formula C32H44N2O7Si and a molecular weight of 596.80 g/mol. Its IUPAC name is prop-2-enyl N-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate
PubChem CID22046680
Molecular FormulaC32H44N2O7Si
Molecular Weight596.80 g/mol
Exact Mass596.29
IUPAC Nameprop-2-enyl N-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate
SMILESC=CCOC(=O)Nc1cc(OCc2ccccc2)c(OC)cc1C(=O)N1C=C(C(C)O)CC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H44N2O7Si/c1-9-15-39-31(37)33-27-18-29(40-20-23-13-11-10-12-14-23)28(38-6)17-26(27)30(36)34-19-24(22(2)35)16-25(34)21-41-42(7,8)32(3,4)5/h9-14,17-19,22,25,35H,1,15-16,20-21H2,2-8H3,(H,33,37)
InChIKeyBEUHONRNTOVXCJ-UHFFFAOYSA-N
XLogP6.51
TPSA106.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.80
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]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-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate?
The IUPAC name of prop-2-enyl N-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate (CID 22046680) is prop-2-enyl N-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate?
The canonical SMILES for prop-2-enyl N-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate is C=CCOC(=O)Nc1cc(OCc2ccccc2)c(OC)cc1C(=O)N1C=C(C(C)O)CC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of prop-2-enyl N-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate?
The InChIKey is BEUHONRNTOVXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N2O7Si/c1-9-15-39-31(37)33-27-18-29(40-20-23-13-11-10-12-14-23)28(38-6)17-26(27)30(36)34-19-24(22(2)35)16-25(34)21-41-42(7,8)32(3,4)5/h9-14,17-19,22,25,35H,1,15-16,20-21H2,2-8H3,(H,33,37).
What are the key properties of prop-2-enyl N-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate?
prop-2-enyl N-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate has a molecular weight of 596.80 g/mol, XLogP of 6.51, 12 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-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(1-hydroxyethyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-phenylmethoxyphenyl]carbamate is sourced from PubChem (CID 22046680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).