N-methyl-2-phenyl-N-[(1R,2R)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide

C23H33NO2Si — CID 91753971

IUPACN-methyl-2-phenyl-N-[(1R,2R)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide
SMILESCCC(C(=O)N(C)[C@H](C)[C@H](O[Si](C)(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H33NO2Si/c1-7-21(19-14-10-8-11-15-19)23(25)24(3)18(2)22(26-27(4,5)6)20-16-12-9-13-17-20/h8-18,21-22H,7H2,1-6H3/t18-,21?,22+/m1/s1
InChIKeyWKCMQVCLOHXYPJ-BYHNSMNUSA-N
MW383.61 g/mol
LogP5.62
Rot. Bonds8

About N-methyl-2-phenyl-N-[(1R,2R)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide

N-methyl-2-phenyl-N-[(1R,2R)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide (PubChem CID 91753971) has the molecular formula C23H33NO2Si and a molecular weight of 383.61 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-[(1R,2R)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-[(1R,2R)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide
PubChem CID91753971
Molecular FormulaC23H33NO2Si
Molecular Weight383.61 g/mol
Exact Mass383.23
IUPAC NameN-methyl-2-phenyl-N-[(1R,2R)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide
SMILESCCC(C(=O)N(C)[C@H](C)[C@H](O[Si](C)(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H33NO2Si/c1-7-21(19-14-10-8-11-15-19)23(25)24(3)18(2)22(26-27(4,5)6)20-16-12-9-13-17-20/h8-18,21-22H,7H2,1-6H3/t18-,21?,22+/m1/s1
InChIKeyWKCMQVCLOHXYPJ-BYHNSMNUSA-N
XLogP5.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.61
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-N-[(1S,2R)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide
CID 91753974
N-ethyl-2,2,2-trifluoro-N-(1-phenyl-1-trimethylsilyloxypropan-2-yl)acetamide
CID 91753864
(1S,2S)-N-methyl-1-phenyl-N-trimethylsilyl-1-trimethylsilyloxypropan-2-amine
CID 102239963
(2S)-2-(3,4-dimethoxyphenyl)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbutanamide
CID 11793595
(E)-N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-yl]-N-methylhex-2-enamide
CID 24769790
3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide
CID 62879219
N,N-bis(2-methylpropyl)-2-phenylbutanamide
CID 4080662
(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-(3-methoxy-4,5-dimethylphenyl)-N-methylbutanamide
CID 90225512
N-(2-cyanopropyl)-N-methyl-2-phenylbutanamide
CID 54990929
methyl 2-[methyl(2-phenylbutanoyl)amino]acetate
CID 43422766
2-[2-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
CID 120686583
(3S)-N-[(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-1-phenylpropan-2-yl]-3-(dibenzylamino)-N-methylbutanamide
CID 11607153

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N-[(1R,2R)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide?
The IUPAC name of N-methyl-2-phenyl-N-[(1R,2R)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide (CID 91753971) is N-methyl-2-phenyl-N-[(1R,2R)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide.
What is the SMILES notation for N-methyl-2-phenyl-N-[(1R,2R)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide?
The canonical SMILES for N-methyl-2-phenyl-N-[(1R,2R)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide is CCC(C(=O)N(C)[C@H](C)[C@H](O[Si](C)(C)C)c1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-2-phenyl-N-[(1R,2R)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide?
The InChIKey is WKCMQVCLOHXYPJ-BYHNSMNUSA-N. The full InChI is InChI=1S/C23H33NO2Si/c1-7-21(19-14-10-8-11-15-19)23(25)24(3)18(2)22(26-27(4,5)6)20-16-12-9-13-17-20/h8-18,21-22H,7H2,1-6H3/t18-,21?,22+/m1/s1.
What are the key properties of N-methyl-2-phenyl-N-[(1R,2R)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide?
N-methyl-2-phenyl-N-[(1R,2R)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide has a molecular weight of 383.61 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N-[(1R,2R)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide is sourced from PubChem (CID 91753971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).