2-(4-methylcyclohex-3-en-1-yl)-N-(3-trihydroxysilylpropyl)propanamide

C13H25NO4Si — CID 102027770

IUPAC2-(4-methylcyclohex-3-en-1-yl)-N-(3-trihydroxysilylpropyl)propanamide
SMILESCC1=CCC(C(C)C(=O)NCCC[Si](O)(O)O)CC1
InChIInChI=1S/C13H25NO4Si/c1-10-4-6-12(7-5-10)11(2)13(15)14-8-3-9-19(16,17)18/h4,11-12,16-18H,3,5-9H2,1-2H3,(H,14,15)
InChIKeyQHBDHKVVEFPATL-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.79
Rot. Bonds6

About 2-(4-methylcyclohex-3-en-1-yl)-N-(3-trihydroxysilylpropyl)propanamide

2-(4-methylcyclohex-3-en-1-yl)-N-(3-trihydroxysilylpropyl)propanamide (PubChem CID 102027770) has the molecular formula C13H25NO4Si and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-(4-methylcyclohex-3-en-1-yl)-N-(3-trihydroxysilylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-methylcyclohex-3-en-1-yl)-N-(3-trihydroxysilylpropyl)propanamide
PubChem CID102027770
Molecular FormulaC13H25NO4Si
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Name2-(4-methylcyclohex-3-en-1-yl)-N-(3-trihydroxysilylpropyl)propanamide
SMILESCC1=CCC(C(C)C(=O)NCCC[Si](O)(O)O)CC1
InChIInChI=1S/C13H25NO4Si/c1-10-4-6-12(7-5-10)11(2)13(15)14-8-3-9-19(16,17)18/h4,11-12,16-18H,3,5-9H2,1-2H3,(H,14,15)
InChIKeyQHBDHKVVEFPATL-UHFFFAOYSA-N
XLogP0.79
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-(4-methylcyclohex-3-en-1-yl)hexanoate
CID 85377687
2-(4-methylcyclohex-3-en-1-yl)propane-1-thiol
CID 59610016
4-(4-chlorobutan-2-yl)-1-methylcyclohexene
CID 123381181
2-cyclopropyl-N-(3-hydroxypropyl)propanamide
CID 81449535
(2S)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propanal
CID 76958477
N,N-dibutyl-3-(4-methylcyclohex-3-en-1-yl)butan-1-amine
CID 102454968
N-butyl-2-cyclopentylpropanamide
CID 173178636
1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-1,5,9-triene
CID 75094485
N-(4-chloropentyl)-2-cyclopropylpropanamide
CID 106129419
5-(2-cyclopropylpropanoylamino)pentanoic acid
CID 83146562
2-methyl-1-(4-methylcyclohex-3-en-1-yl)propan-1-one
CID 89484122
CID 10458509
CID 10458509

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohex-3-en-1-yl)-N-(3-trihydroxysilylpropyl)propanamide?
The IUPAC name of 2-(4-methylcyclohex-3-en-1-yl)-N-(3-trihydroxysilylpropyl)propanamide (CID 102027770) is 2-(4-methylcyclohex-3-en-1-yl)-N-(3-trihydroxysilylpropyl)propanamide.
What is the SMILES notation for 2-(4-methylcyclohex-3-en-1-yl)-N-(3-trihydroxysilylpropyl)propanamide?
The canonical SMILES for 2-(4-methylcyclohex-3-en-1-yl)-N-(3-trihydroxysilylpropyl)propanamide is CC1=CCC(C(C)C(=O)NCCC[Si](O)(O)O)CC1.
What is the InChIKey of 2-(4-methylcyclohex-3-en-1-yl)-N-(3-trihydroxysilylpropyl)propanamide?
The InChIKey is QHBDHKVVEFPATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4Si/c1-10-4-6-12(7-5-10)11(2)13(15)14-8-3-9-19(16,17)18/h4,11-12,16-18H,3,5-9H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-methylcyclohex-3-en-1-yl)-N-(3-trihydroxysilylpropyl)propanamide?
2-(4-methylcyclohex-3-en-1-yl)-N-(3-trihydroxysilylpropyl)propanamide has a molecular weight of 287.43 g/mol, XLogP of 0.79, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohex-3-en-1-yl)-N-(3-trihydroxysilylpropyl)propanamide is sourced from PubChem (CID 102027770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).