2-(methoxymethoxy)-N-phenyl-5-[tri(propan-2-yl)silyloxymethyl]benzamide

C25H37NO4Si — CID 12024008

IUPAC2-(methoxymethoxy)-N-phenyl-5-[tri(propan-2-yl)silyloxymethyl]benzamide
SMILESCOCOc1ccc(CO[Si](C(C)C)(C(C)C)C(C)C)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C25H37NO4Si/c1-18(2)31(19(3)4,20(5)6)30-16-21-13-14-24(29-17-28-7)23(15-21)25(27)26-22-11-9-8-10-12-22/h8-15,18-20H,16-17H2,1-7H3,(H,26,27)
InChIKeyHOZSJVFXVWYCLR-UHFFFAOYSA-N
MW443.66 g/mol
LogP6.61
Rot. Bonds11

About 2-(methoxymethoxy)-N-phenyl-5-[tri(propan-2-yl)silyloxymethyl]benzamide

2-(methoxymethoxy)-N-phenyl-5-[tri(propan-2-yl)silyloxymethyl]benzamide (PubChem CID 12024008) has the molecular formula C25H37NO4Si and a molecular weight of 443.66 g/mol. Its IUPAC name is 2-(methoxymethoxy)-N-phenyl-5-[tri(propan-2-yl)silyloxymethyl]benzamide.

Molecular Properties

Compound Name2-(methoxymethoxy)-N-phenyl-5-[tri(propan-2-yl)silyloxymethyl]benzamide
PubChem CID12024008
Molecular FormulaC25H37NO4Si
Molecular Weight443.66 g/mol
Exact Mass443.25
IUPAC Name2-(methoxymethoxy)-N-phenyl-5-[tri(propan-2-yl)silyloxymethyl]benzamide
SMILESCOCOc1ccc(CO[Si](C(C)C)(C(C)C)C(C)C)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C25H37NO4Si/c1-18(2)31(19(3)4,20(5)6)30-16-21-13-14-24(29-17-28-7)23(15-21)25(27)26-22-11-9-8-10-12-22/h8-15,18-20H,16-17H2,1-7H3,(H,26,27)
InChIKeyHOZSJVFXVWYCLR-UHFFFAOYSA-N
XLogP6.61
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.66
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide
CID 17350689
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998
5-chloro-2-[2-(diethylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7893374
2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide
CID 141216434
2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide
CID 27876771
5-bromo-2-(2-methoxyethoxy)-N-[4-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 43887620
2-phenylmethoxy-N-(3-phenylphenyl)-5-pyridin-4-ylbenzamide
CID 141273620
5-chloro-2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide
CID 24578784
methyl (2R)-4-methyl-2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]pentanoate
CID 9018532
2-(2-methylpropoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235611
4-[(2-acetyl-4-fluorophenoxy)methyl]-N-phenylbenzamide
CID 112787692
2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride
CID 142115034

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)-N-phenyl-5-[tri(propan-2-yl)silyloxymethyl]benzamide?
The IUPAC name of 2-(methoxymethoxy)-N-phenyl-5-[tri(propan-2-yl)silyloxymethyl]benzamide (CID 12024008) is 2-(methoxymethoxy)-N-phenyl-5-[tri(propan-2-yl)silyloxymethyl]benzamide.
What is the SMILES notation for 2-(methoxymethoxy)-N-phenyl-5-[tri(propan-2-yl)silyloxymethyl]benzamide?
The canonical SMILES for 2-(methoxymethoxy)-N-phenyl-5-[tri(propan-2-yl)silyloxymethyl]benzamide is COCOc1ccc(CO[Si](C(C)C)(C(C)C)C(C)C)cc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-(methoxymethoxy)-N-phenyl-5-[tri(propan-2-yl)silyloxymethyl]benzamide?
The InChIKey is HOZSJVFXVWYCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO4Si/c1-18(2)31(19(3)4,20(5)6)30-16-21-13-14-24(29-17-28-7)23(15-21)25(27)26-22-11-9-8-10-12-22/h8-15,18-20H,16-17H2,1-7H3,(H,26,27).
What are the key properties of 2-(methoxymethoxy)-N-phenyl-5-[tri(propan-2-yl)silyloxymethyl]benzamide?
2-(methoxymethoxy)-N-phenyl-5-[tri(propan-2-yl)silyloxymethyl]benzamide has a molecular weight of 443.66 g/mol, XLogP of 6.61, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)-N-phenyl-5-[tri(propan-2-yl)silyloxymethyl]benzamide is sourced from PubChem (CID 12024008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).