N-[1-phenyl-3-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexanecarboxamide

C25H43NO2Si — CID 138970075

IUPACN-[1-phenyl-3-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexanecarboxamide
SMILESCC(C)[Si](OCC(Cc1ccccc1)NC(=O)C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C25H43NO2Si/c1-19(2)29(20(3)4,21(5)6)28-18-24(17-22-13-9-7-10-14-22)26-25(27)23-15-11-8-12-16-23/h7,9-10,13-14,19-21,23-24H,8,11-12,15-18H2,1-6H3,(H,26,27)
InChIKeyVJNKVTFOEMKKQT-UHFFFAOYSA-N
MW417.71 g/mol
LogP6.49
Rot. Bonds10

About N-[1-phenyl-3-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexanecarboxamide

N-[1-phenyl-3-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexanecarboxamide (PubChem CID 138970075) has the molecular formula C25H43NO2Si and a molecular weight of 417.71 g/mol. Its IUPAC name is N-[1-phenyl-3-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-phenyl-3-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexanecarboxamide
PubChem CID138970075
Molecular FormulaC25H43NO2Si
Molecular Weight417.71 g/mol
Exact Mass417.31
IUPAC NameN-[1-phenyl-3-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexanecarboxamide
SMILESCC(C)[Si](OCC(Cc1ccccc1)NC(=O)C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C25H43NO2Si/c1-19(2)29(20(3)4,21(5)6)28-18-24(17-22-13-9-7-10-14-22)26-25(27)23-15-11-8-12-16-23/h7,9-10,13-14,19-21,23-24H,8,11-12,15-18H2,1-6H3,(H,26,27)
InChIKeyVJNKVTFOEMKKQT-UHFFFAOYSA-N
XLogP6.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.71
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[(2S)-2-[[dihydroxy-[(3-phenylpropanoylamino)methyl]silyl]methyl]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 5494390
N-(1-benzylpropyl)cyclohexanecarboxamide
CID 2971987
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methyl-3-phenylpropanamide
CID 5459524
sodium (2S)-2-[[(2S)-2-[[dihydroxy-[(3-phenylpropanoylamino)methyl]silyl]methyl]-4-methylpentanoyl]amino]-4-methylpentanoate
CID 44346619
(2S)-2-[[(2S)-2-benzyl-3-[dihydroxy-[(3-phenylpropanoylamino)methyl]silyl]propanoyl]amino]-4-methylpentanoic acid
CID 71719738
Acidiphilamide A
CID 145720799
Acidiphilamide B
CID 145720800
N-oleoyl-L-phenylalaninate
CID 122391266
Phosphoric acid mono-(2-hexadecanoylamino-3-phenyl-propyl) ester
CID 15667290
Acidiphilamide C
CID 145720801
(S)-3-Phenyl-2-(3-phenyl-propionylamino)-propionic acid methyl ester
CID 10244949
Arachidonoylphenylalaninate
CID 122391298

Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-3-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-phenyl-3-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexanecarboxamide (CID 138970075) is N-[1-phenyl-3-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-phenyl-3-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-phenyl-3-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexanecarboxamide is CC(C)[Si](OCC(Cc1ccccc1)NC(=O)C1CCCCC1)(C(C)C)C(C)C.
What is the InChIKey of N-[1-phenyl-3-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexanecarboxamide?
The InChIKey is VJNKVTFOEMKKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43NO2Si/c1-19(2)29(20(3)4,21(5)6)28-18-24(17-22-13-9-7-10-14-22)26-25(27)23-15-11-8-12-16-23/h7,9-10,13-14,19-21,23-24H,8,11-12,15-18H2,1-6H3,(H,26,27).
What are the key properties of N-[1-phenyl-3-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexanecarboxamide?
N-[1-phenyl-3-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexanecarboxamide has a molecular weight of 417.71 g/mol, XLogP of 6.49, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-3-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 138970075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).