(2R,3R)-3-(4-chlorophenyl)-2-[cyclohexyl(dimethyl)silyl]-4-(4-methoxyphenyl)-N,N-dimethyl-4-oxobutanamide

C27H36ClNO3Si — CID 11720047

IUPAC(2R,3R)-3-(4-chlorophenyl)-2-[cyclohexyl(dimethyl)silyl]-4-(4-methoxyphenyl)-N,N-dimethyl-4-oxobutanamide
SMILESCOc1ccc(C(=O)[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N(C)C)[Si](C)(C)C2CCCCC2)cc1
InChIInChI=1S/C27H36ClNO3Si/c1-29(2)27(31)26(33(4,5)23-9-7-6-8-10-23)24(19-11-15-21(28)16-12-19)25(30)20-13-17-22(32-3)18-14-20/h11-18,23-24,26H,6-10H2,1-5H3/t24-,26-/m1/s1
InChIKeyCTKXLKCTEGLIOP-AOYPEHQESA-N
MW486.13 g/mol
LogP6.82
Rot. Bonds8

About (2R,3R)-3-(4-chlorophenyl)-2-[cyclohexyl(dimethyl)silyl]-4-(4-methoxyphenyl)-N,N-dimethyl-4-oxobutanamide

(2R,3R)-3-(4-chlorophenyl)-2-[cyclohexyl(dimethyl)silyl]-4-(4-methoxyphenyl)-N,N-dimethyl-4-oxobutanamide (PubChem CID 11720047) has the molecular formula C27H36ClNO3Si and a molecular weight of 486.13 g/mol. Its IUPAC name is (2R,3R)-3-(4-chlorophenyl)-2-[cyclohexyl(dimethyl)silyl]-4-(4-methoxyphenyl)-N,N-dimethyl-4-oxobutanamide.

Molecular Properties

Compound Name(2R,3R)-3-(4-chlorophenyl)-2-[cyclohexyl(dimethyl)silyl]-4-(4-methoxyphenyl)-N,N-dimethyl-4-oxobutanamide
PubChem CID11720047
Molecular FormulaC27H36ClNO3Si
Molecular Weight486.13 g/mol
Exact Mass485.22
IUPAC Name(2R,3R)-3-(4-chlorophenyl)-2-[cyclohexyl(dimethyl)silyl]-4-(4-methoxyphenyl)-N,N-dimethyl-4-oxobutanamide
SMILESCOc1ccc(C(=O)[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N(C)C)[Si](C)(C)C2CCCCC2)cc1
InChIInChI=1S/C27H36ClNO3Si/c1-29(2)27(31)26(33(4,5)23-9-7-6-8-10-23)24(19-11-15-21(28)16-12-19)25(30)20-13-17-22(32-3)18-14-20/h11-18,23-24,26H,6-10H2,1-5H3/t24-,26-/m1/s1
InChIKeyCTKXLKCTEGLIOP-AOYPEHQESA-N
XLogP6.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.13
LogP ≤ 56.82
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

(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-methylpropan-1-one
CID 102032206
2-bromo-1-(4-chlorophenyl)-2-(4-methoxyphenyl)ethanone
CID 59486536
(2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one
CID 125480635
N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 102217695
4-chloro-N-[3-[cyclohexyl(methyl)amino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 1187135
2-(4-chlorophenyl)-N,N,3-trimethylbutanamide
CID 60653268
2-(4-methoxyphenyl)-N,N-dimethylpropanamide
CID 20710885
N-[1-(4-methoxyphenyl)-2-oxo-2-pyridin-4-ylethyl]cyclohexanecarboxamide
CID 102018874
1-(4-chlorophenyl)-2-[methyl(oxolan-3-yl)amino]propan-1-one
CID 82742632
2,3-dibromo-1,3-bis(4-methoxyphenyl)propan-1-one
CID 10895225
N-cyclohexyl-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
CID 74853038
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 17447079

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(4-chlorophenyl)-2-[cyclohexyl(dimethyl)silyl]-4-(4-methoxyphenyl)-N,N-dimethyl-4-oxobutanamide?
The IUPAC name of (2R,3R)-3-(4-chlorophenyl)-2-[cyclohexyl(dimethyl)silyl]-4-(4-methoxyphenyl)-N,N-dimethyl-4-oxobutanamide (CID 11720047) is (2R,3R)-3-(4-chlorophenyl)-2-[cyclohexyl(dimethyl)silyl]-4-(4-methoxyphenyl)-N,N-dimethyl-4-oxobutanamide.
What is the SMILES notation for (2R,3R)-3-(4-chlorophenyl)-2-[cyclohexyl(dimethyl)silyl]-4-(4-methoxyphenyl)-N,N-dimethyl-4-oxobutanamide?
The canonical SMILES for (2R,3R)-3-(4-chlorophenyl)-2-[cyclohexyl(dimethyl)silyl]-4-(4-methoxyphenyl)-N,N-dimethyl-4-oxobutanamide is COc1ccc(C(=O)[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N(C)C)[Si](C)(C)C2CCCCC2)cc1.
What is the InChIKey of (2R,3R)-3-(4-chlorophenyl)-2-[cyclohexyl(dimethyl)silyl]-4-(4-methoxyphenyl)-N,N-dimethyl-4-oxobutanamide?
The InChIKey is CTKXLKCTEGLIOP-AOYPEHQESA-N. The full InChI is InChI=1S/C27H36ClNO3Si/c1-29(2)27(31)26(33(4,5)23-9-7-6-8-10-23)24(19-11-15-21(28)16-12-19)25(30)20-13-17-22(32-3)18-14-20/h11-18,23-24,26H,6-10H2,1-5H3/t24-,26-/m1/s1.
What are the key properties of (2R,3R)-3-(4-chlorophenyl)-2-[cyclohexyl(dimethyl)silyl]-4-(4-methoxyphenyl)-N,N-dimethyl-4-oxobutanamide?
(2R,3R)-3-(4-chlorophenyl)-2-[cyclohexyl(dimethyl)silyl]-4-(4-methoxyphenyl)-N,N-dimethyl-4-oxobutanamide has a molecular weight of 486.13 g/mol, XLogP of 6.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(4-chlorophenyl)-2-[cyclohexyl(dimethyl)silyl]-4-(4-methoxyphenyl)-N,N-dimethyl-4-oxobutanamide is sourced from PubChem (CID 11720047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).