N-[3-(3,4-dimethoxyphenyl)propyl]-N-(trimethylsilylmethyl)benzamide

C22H31NO3Si — CID 10620133

IUPACN-[3-(3,4-dimethoxyphenyl)propyl]-N-(trimethylsilylmethyl)benzamide
SMILESCOc1ccc(CCCN(C[Si](C)(C)C)C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C22H31NO3Si/c1-25-20-14-13-18(16-21(20)26-2)10-9-15-23(17-27(3,4)5)22(24)19-11-7-6-8-12-19/h6-8,11-14,16H,9-10,15,17H2,1-5H3
InChIKeyLIXDSGBDEQTEIR-UHFFFAOYSA-N
MW385.58 g/mol
LogP4.66
Rot. Bonds9

About N-[3-(3,4-dimethoxyphenyl)propyl]-N-(trimethylsilylmethyl)benzamide

N-[3-(3,4-dimethoxyphenyl)propyl]-N-(trimethylsilylmethyl)benzamide (PubChem CID 10620133) has the molecular formula C22H31NO3Si and a molecular weight of 385.58 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)propyl]-N-(trimethylsilylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)propyl]-N-(trimethylsilylmethyl)benzamide
PubChem CID10620133
Molecular FormulaC22H31NO3Si
Molecular Weight385.58 g/mol
Exact Mass385.21
IUPAC NameN-[3-(3,4-dimethoxyphenyl)propyl]-N-(trimethylsilylmethyl)benzamide
SMILESCOc1ccc(CCCN(C[Si](C)(C)C)C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C22H31NO3Si/c1-25-20-14-13-18(16-21(20)26-2)10-9-15-23(17-27(3,4)5)22(24)19-11-7-6-8-12-19/h6-8,11-14,16H,9-10,15,17H2,1-5H3
InChIKeyLIXDSGBDEQTEIR-UHFFFAOYSA-N
XLogP4.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.58
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)ethyl-(3-hydroxypropyl)carbamic acid
CID 69147976
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
CID 20969090
N-butan-2-yl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 42703855
3-cyano-N-[3-(3,4-dimethoxyphenyl)propyl]-N-methylbenzamide
CID 38713614
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 42701819
1-butyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-propylurea
CID 108891350
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide
CID 9468502
4-[[3-phenylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]benzoic acid
CID 66774944
[4-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dimethoxyphenyl] benzoate
CID 171345656
1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea
CID 48559749
N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-3,4-dimethoxybenzamide
CID 113056437
2-[4-[[3-phenylpropyl-(3,4,5-trimethoxybenzoyl)amino]methyl]phenyl]acetic acid
CID 66775075

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-N-(trimethylsilylmethyl)benzamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-N-(trimethylsilylmethyl)benzamide (CID 10620133) is N-[3-(3,4-dimethoxyphenyl)propyl]-N-(trimethylsilylmethyl)benzamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)propyl]-N-(trimethylsilylmethyl)benzamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)propyl]-N-(trimethylsilylmethyl)benzamide is COc1ccc(CCCN(C[Si](C)(C)C)C(=O)c2ccccc2)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)propyl]-N-(trimethylsilylmethyl)benzamide?
The InChIKey is LIXDSGBDEQTEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO3Si/c1-25-20-14-13-18(16-21(20)26-2)10-9-15-23(17-27(3,4)5)22(24)19-11-7-6-8-12-19/h6-8,11-14,16H,9-10,15,17H2,1-5H3.
What are the key properties of N-[3-(3,4-dimethoxyphenyl)propyl]-N-(trimethylsilylmethyl)benzamide?
N-[3-(3,4-dimethoxyphenyl)propyl]-N-(trimethylsilylmethyl)benzamide has a molecular weight of 385.58 g/mol, XLogP of 4.66, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)propyl]-N-(trimethylsilylmethyl)benzamide is sourced from PubChem (CID 10620133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).