N-[6-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxybenzoyl)phenyl]-4-propylbenzamide

C30H38N2O4Si — CID 70031160

IUPACN-[6-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxybenzoyl)phenyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2c(N)ccc(O[Si](C)(C)C(C)(C)C)c2C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H38N2O4Si/c1-8-9-20-10-12-22(13-11-20)29(34)32-27-24(31)18-19-25(36-37(6,7)30(2,3)4)26(27)28(33)21-14-16-23(35-5)17-15-21/h10-19H,8-9,31H2,1-7H3,(H,32,34)
InChIKeyVUZYCZYSEWGTFP-UHFFFAOYSA-N
MW518.73 g/mol
LogP7.10
Rot. Bonds9

About N-[6-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxybenzoyl)phenyl]-4-propylbenzamide

N-[6-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxybenzoyl)phenyl]-4-propylbenzamide (PubChem CID 70031160) has the molecular formula C30H38N2O4Si and a molecular weight of 518.73 g/mol. Its IUPAC name is N-[6-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxybenzoyl)phenyl]-4-propylbenzamide.

Molecular Properties

Compound NameN-[6-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxybenzoyl)phenyl]-4-propylbenzamide
PubChem CID70031160
Molecular FormulaC30H38N2O4Si
Molecular Weight518.73 g/mol
Exact Mass518.26
IUPAC NameN-[6-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxybenzoyl)phenyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2c(N)ccc(O[Si](C)(C)C(C)(C)C)c2C(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H38N2O4Si/c1-8-9-20-10-12-22(13-11-20)29(34)32-27-24(31)18-19-25(36-37(6,7)30(2,3)4)26(27)28(33)21-14-16-23(35-5)17-15-21/h10-19H,8-9,31H2,1-7H3,(H,32,34)
InChIKeyVUZYCZYSEWGTFP-UHFFFAOYSA-N
XLogP7.10
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.73
LogP ≤ 57.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-hydroxy-2-[(4-propylphenyl)methylamino]phenyl]-4-methoxybenzamide
CID 86585756
N-[2-amino-6-(2-butoxy-4-methoxybenzoyl)phenyl]-4-methoxybenzamide
CID 69360071
N-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide
CID 43550066
4-chloro-N-[3-[2-(4-methoxyphenyl)ethyl]-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686376
1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
CID 71380079
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(2,4-dimethoxyphenyl)propan-1-one
CID 154718984
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
N-(4-amino-2-bromo-6-methoxyphenyl)-4-methoxybenzamide
CID 100828622
3-amino-N-methyl-4-(4-propylphenoxy)benzamide
CID 82992638
N-(3-amino-4-ethoxyphenyl)-4-methoxybenzamide
CID 23464410
(4-tert-butylphenyl)-(4-propylphenyl)methanone
CID 24723303

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxybenzoyl)phenyl]-4-propylbenzamide?
The IUPAC name of N-[6-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxybenzoyl)phenyl]-4-propylbenzamide (CID 70031160) is N-[6-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxybenzoyl)phenyl]-4-propylbenzamide.
What is the SMILES notation for N-[6-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxybenzoyl)phenyl]-4-propylbenzamide?
The canonical SMILES for N-[6-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxybenzoyl)phenyl]-4-propylbenzamide is CCCc1ccc(C(=O)Nc2c(N)ccc(O[Si](C)(C)C(C)(C)C)c2C(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[6-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxybenzoyl)phenyl]-4-propylbenzamide?
The InChIKey is VUZYCZYSEWGTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O4Si/c1-8-9-20-10-12-22(13-11-20)29(34)32-27-24(31)18-19-25(36-37(6,7)30(2,3)4)26(27)28(33)21-14-16-23(35-5)17-15-21/h10-19H,8-9,31H2,1-7H3,(H,32,34).
What are the key properties of N-[6-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxybenzoyl)phenyl]-4-propylbenzamide?
N-[6-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxybenzoyl)phenyl]-4-propylbenzamide has a molecular weight of 518.73 g/mol, XLogP of 7.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxybenzoyl)phenyl]-4-propylbenzamide is sourced from PubChem (CID 70031160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).