benzyl N-[(E)-3-[dimethyl(phenyl)silyl]-1-(2-methoxyphenyl)prop-2-enyl]carbamate

C26H29NO3Si — CID 122214437

IUPACbenzyl N-[(E)-3-[dimethyl(phenyl)silyl]-1-(2-methoxyphenyl)prop-2-enyl]carbamate
SMILESCOc1ccccc1C(/C=C/[Si](C)(C)c1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C26H29NO3Si/c1-29-25-17-11-10-16-23(25)24(18-19-31(2,3)22-14-8-5-9-15-22)27-26(28)30-20-21-12-6-4-7-13-21/h4-19,24H,20H2,1-3H3,(H,27,28)/b19-18+
InChIKeyATVQFQHYGPTCJP-VHEBQXMUSA-N
MW431.61 g/mol
LogP5.37
Rot. Bonds8

About benzyl N-[(E)-3-[dimethyl(phenyl)silyl]-1-(2-methoxyphenyl)prop-2-enyl]carbamate

benzyl N-[(E)-3-[dimethyl(phenyl)silyl]-1-(2-methoxyphenyl)prop-2-enyl]carbamate (PubChem CID 122214437) has the molecular formula C26H29NO3Si and a molecular weight of 431.61 g/mol. Its IUPAC name is benzyl N-[(E)-3-[dimethyl(phenyl)silyl]-1-(2-methoxyphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(E)-3-[dimethyl(phenyl)silyl]-1-(2-methoxyphenyl)prop-2-enyl]carbamate
PubChem CID122214437
Molecular FormulaC26H29NO3Si
Molecular Weight431.61 g/mol
Exact Mass431.19
IUPAC Namebenzyl N-[(E)-3-[dimethyl(phenyl)silyl]-1-(2-methoxyphenyl)prop-2-enyl]carbamate
SMILESCOc1ccccc1C(/C=C/[Si](C)(C)c1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C26H29NO3Si/c1-29-25-17-11-10-16-23(25)24(18-19-31(2,3)22-14-8-5-9-15-22)27-26(28)30-20-21-12-6-4-7-13-21/h4-19,24H,20H2,1-3H3,(H,27,28)/b19-18+
InChIKeyATVQFQHYGPTCJP-VHEBQXMUSA-N
XLogP5.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.61
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[dimethyl(phenyl)silyl]prop-2-enyl]carbamate
CID 122214445
benzyl N-[hydroxy-(2-methoxyphenyl)methyl]carbamate
CID 10755704
benzyl N-[diethoxyphosphoryl-(2-methoxyphenyl)methyl]carbamate
CID 23420220
methyl (E,2S)-4-(2-methoxyphenyl)-2-(phenylmethoxycarbonylamino)but-3-enoate
CID 11792510
methyl (E,2S,5R)-2-methyl-5-(phenylmethoxycarbonylamino)hex-3-enoate
CID 10613529
benzyl N-[(2-methoxybenzoyl)amino]carbamate
CID 4935888
benzyl N-(1,1-dimethoxybutan-2-yl)carbamate
CID 131091159
benzyl N-[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 18287386
(2S)-3-(3-amino-4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 68910907
(2S)-3-(4-hydroxy-3-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 18638341
benzyl 2-(phenylmethoxycarbonylamino)but-3-enoate
CID 14780335
methyl 2-(phenylmethoxycarbonylamino)butanoate
CID 562283

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(E)-3-[dimethyl(phenyl)silyl]-1-(2-methoxyphenyl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[(E)-3-[dimethyl(phenyl)silyl]-1-(2-methoxyphenyl)prop-2-enyl]carbamate (CID 122214437) is benzyl N-[(E)-3-[dimethyl(phenyl)silyl]-1-(2-methoxyphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[(E)-3-[dimethyl(phenyl)silyl]-1-(2-methoxyphenyl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[(E)-3-[dimethyl(phenyl)silyl]-1-(2-methoxyphenyl)prop-2-enyl]carbamate is COc1ccccc1C(/C=C/[Si](C)(C)c1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(E)-3-[dimethyl(phenyl)silyl]-1-(2-methoxyphenyl)prop-2-enyl]carbamate?
The InChIKey is ATVQFQHYGPTCJP-VHEBQXMUSA-N. The full InChI is InChI=1S/C26H29NO3Si/c1-29-25-17-11-10-16-23(25)24(18-19-31(2,3)22-14-8-5-9-15-22)27-26(28)30-20-21-12-6-4-7-13-21/h4-19,24H,20H2,1-3H3,(H,27,28)/b19-18+.
What are the key properties of benzyl N-[(E)-3-[dimethyl(phenyl)silyl]-1-(2-methoxyphenyl)prop-2-enyl]carbamate?
benzyl N-[(E)-3-[dimethyl(phenyl)silyl]-1-(2-methoxyphenyl)prop-2-enyl]carbamate has a molecular weight of 431.61 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(E)-3-[dimethyl(phenyl)silyl]-1-(2-methoxyphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 122214437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).