3-butoxy-2-chloro-N-phenyl-2-trimethylsilylpropanamide

C16H26ClNO2Si — CID 21396843

IUPAC3-butoxy-2-chloro-N-phenyl-2-trimethylsilylpropanamide
SMILESCCCCOCC(Cl)(C(=O)Nc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C16H26ClNO2Si/c1-5-6-12-20-13-16(17,21(2,3)4)15(19)18-14-10-8-7-9-11-14/h7-11H,5-6,12-13H2,1-4H3,(H,18,19)
InChIKeyNIRWEPVKWNFXCT-UHFFFAOYSA-N
MW327.93 g/mol
LogP4.30
Rot. Bonds8

About 3-butoxy-2-chloro-N-phenyl-2-trimethylsilylpropanamide

3-butoxy-2-chloro-N-phenyl-2-trimethylsilylpropanamide (PubChem CID 21396843) has the molecular formula C16H26ClNO2Si and a molecular weight of 327.93 g/mol. Its IUPAC name is 3-butoxy-2-chloro-N-phenyl-2-trimethylsilylpropanamide.

Molecular Properties

Compound Name3-butoxy-2-chloro-N-phenyl-2-trimethylsilylpropanamide
PubChem CID21396843
Molecular FormulaC16H26ClNO2Si
Molecular Weight327.93 g/mol
Exact Mass327.14
IUPAC Name3-butoxy-2-chloro-N-phenyl-2-trimethylsilylpropanamide
SMILESCCCCOCC(Cl)(C(=O)Nc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C16H26ClNO2Si/c1-5-6-12-20-13-16(17,21(2,3)4)15(19)18-14-10-8-7-9-11-14/h7-11H,5-6,12-13H2,1-4H3,(H,18,19)
InChIKeyNIRWEPVKWNFXCT-UHFFFAOYSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.93
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-phenyl-2-trimethylsilylheptanamide
CID 10334484
3-methoxy-2,2-dimethyl-N-phenylpropanamide
CID 70245295
2,2-dichloro-N,N'-diphenylpropanediamide
CID 14712481
2-chloro-2-methoxy-N-phenylbutanamide
CID 21464678
2-butyl-2-ethyl-N,N'-diphenylpropanediamide
CID 170847638
1-butoxy-3-phenylurea
CID 4061845
2-amino-2-methyl-N-phenylhexanamide
CID 170712188
2,2-dibromo-N-phenylnonanamide
CID 59766487
3-(4-aminophenoxy)-2,2-dimethyl-N-phenylpropanamide
CID 61035217
benzoic acid;1-pentoxypentane
CID 70815519
1-butoxybutane;3,3,3-trichloro-2-methyl-1-phenylpropane-1,1-diol
CID 174671316
butyl N-(phenylcarbamoyl)carbamate
CID 67363969

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-2-chloro-N-phenyl-2-trimethylsilylpropanamide?
The IUPAC name of 3-butoxy-2-chloro-N-phenyl-2-trimethylsilylpropanamide (CID 21396843) is 3-butoxy-2-chloro-N-phenyl-2-trimethylsilylpropanamide.
What is the SMILES notation for 3-butoxy-2-chloro-N-phenyl-2-trimethylsilylpropanamide?
The canonical SMILES for 3-butoxy-2-chloro-N-phenyl-2-trimethylsilylpropanamide is CCCCOCC(Cl)(C(=O)Nc1ccccc1)[Si](C)(C)C.
What is the InChIKey of 3-butoxy-2-chloro-N-phenyl-2-trimethylsilylpropanamide?
The InChIKey is NIRWEPVKWNFXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2Si/c1-5-6-12-20-13-16(17,21(2,3)4)15(19)18-14-10-8-7-9-11-14/h7-11H,5-6,12-13H2,1-4H3,(H,18,19).
What are the key properties of 3-butoxy-2-chloro-N-phenyl-2-trimethylsilylpropanamide?
3-butoxy-2-chloro-N-phenyl-2-trimethylsilylpropanamide has a molecular weight of 327.93 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-2-chloro-N-phenyl-2-trimethylsilylpropanamide is sourced from PubChem (CID 21396843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).