N-cyclohexylheptadecanamide;2,2-dimethylpropanal

C28H55NO2 — CID 169187604

IUPACN-cyclohexylheptadecanamide;2,2-dimethylpropanal
SMILESCC(C)(C)C=O.CCCCCCCCCCCCCCCCC(=O)NC1CCCCC1
InChIInChI=1S/C23H45NO.C5H10O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23(25)24-22-19-16-15-17-20-22;1-5(2,3)4-6/h22H,2-21H2,1H3,(H,24,25);4H,1-3H3
InChIKeyOCXRGLMRVFPREY-UHFFFAOYSA-N
MW437.75 g/mol
LogP8.54
Rot. Bonds16

About N-cyclohexylheptadecanamide;2,2-dimethylpropanal

N-cyclohexylheptadecanamide;2,2-dimethylpropanal (PubChem CID 169187604) has the molecular formula C28H55NO2 and a molecular weight of 437.75 g/mol. Its IUPAC name is N-cyclohexylheptadecanamide;2,2-dimethylpropanal.

Molecular Properties

Compound NameN-cyclohexylheptadecanamide;2,2-dimethylpropanal
PubChem CID169187604
Molecular FormulaC28H55NO2
Molecular Weight437.75 g/mol
Exact Mass437.42
IUPAC NameN-cyclohexylheptadecanamide;2,2-dimethylpropanal
SMILESCC(C)(C)C=O.CCCCCCCCCCCCCCCCC(=O)NC1CCCCC1
InChIInChI=1S/C23H45NO.C5H10O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23(25)24-22-19-16-15-17-20-22;1-5(2,3)4-6/h22H,2-21H2,1H3,(H,24,25);4H,1-3H3
InChIKeyOCXRGLMRVFPREY-UHFFFAOYSA-N
XLogP8.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.75
LogP ≤ 58.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 10244853
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(E)-N-cyclohexyloctadec-9-enamide
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N-(cyclohexylcarbamothioyl)octanamide
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N-cyclooctylbutanamide
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N-(azepan-4-yl)dodecanamide
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N-(4-hydroxycyclohexyl)dodecanamide
CID 61380713
N-[2-(dodecanoylamino)cyclohexyl]dodecanamide
CID 10299379
N-cyclohexyl-2-(hexadecylamino)acetamide
CID 54808904
5-chloro-N-cyclooctylpentanamide
CID 28733608

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylheptadecanamide;2,2-dimethylpropanal?
The IUPAC name of N-cyclohexylheptadecanamide;2,2-dimethylpropanal (CID 169187604) is N-cyclohexylheptadecanamide;2,2-dimethylpropanal.
What is the SMILES notation for N-cyclohexylheptadecanamide;2,2-dimethylpropanal?
The canonical SMILES for N-cyclohexylheptadecanamide;2,2-dimethylpropanal is CC(C)(C)C=O.CCCCCCCCCCCCCCCCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexylheptadecanamide;2,2-dimethylpropanal?
The InChIKey is OCXRGLMRVFPREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO.C5H10O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23(25)24-22-19-16-15-17-20-22;1-5(2,3)4-6/h22H,2-21H2,1H3,(H,24,25);4H,1-3H3.
What are the key properties of N-cyclohexylheptadecanamide;2,2-dimethylpropanal?
N-cyclohexylheptadecanamide;2,2-dimethylpropanal has a molecular weight of 437.75 g/mol, XLogP of 8.54, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylheptadecanamide;2,2-dimethylpropanal is sourced from PubChem (CID 169187604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).