4-(2-methylbutoxymethyl)-N-(7-methyl-6-oxooctyl)cyclohexane-1-carboxamide;molecular hydrogen

C22H43NO3 — CID 156820216

IUPAC4-(2-methylbutoxymethyl)-N-(7-methyl-6-oxooctyl)cyclohexane-1-carboxamide;molecular hydrogen
SMILESCCC(C)COCC1CCC(C(=O)NCCCCCC(=O)C(C)C)CC1.[H][H]
InChIInChI=1S/C22H41NO3.H2/c1-5-18(4)15-26-16-19-10-12-20(13-11-19)22(25)23-14-8-6-7-9-21(24)17(2)3;/h17-20H,5-16H2,1-4H3,(H,23,25);1H
InChIKeyYXBLXOAXTUUEGZ-UHFFFAOYSA-N
MW369.59 g/mol
LogP5.00
Rot. Bonds13

About 4-(2-methylbutoxymethyl)-N-(7-methyl-6-oxooctyl)cyclohexane-1-carboxamide;molecular hydrogen

4-(2-methylbutoxymethyl)-N-(7-methyl-6-oxooctyl)cyclohexane-1-carboxamide;molecular hydrogen (PubChem CID 156820216) has the molecular formula C22H43NO3 and a molecular weight of 369.59 g/mol. Its IUPAC name is 4-(2-methylbutoxymethyl)-N-(7-methyl-6-oxooctyl)cyclohexane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name4-(2-methylbutoxymethyl)-N-(7-methyl-6-oxooctyl)cyclohexane-1-carboxamide;molecular hydrogen
PubChem CID156820216
Molecular FormulaC22H43NO3
Molecular Weight369.59 g/mol
Exact Mass369.32
IUPAC Name4-(2-methylbutoxymethyl)-N-(7-methyl-6-oxooctyl)cyclohexane-1-carboxamide;molecular hydrogen
SMILESCCC(C)COCC1CCC(C(=O)NCCCCCC(=O)C(C)C)CC1.[H][H]
InChIInChI=1S/C22H41NO3.H2/c1-5-18(4)15-26-16-19-10-12-20(13-11-19)22(25)23-14-8-6-7-9-21(24)17(2)3;/h17-20H,5-16H2,1-4H3,(H,23,25);1H
InChIKeyYXBLXOAXTUUEGZ-UHFFFAOYSA-N
XLogP5.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.59
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutoxymethyl)-N-(7-methyl-6-oxooctyl)cyclohexane-1-carboxamide;molecular hydrogen?
The IUPAC name of 4-(2-methylbutoxymethyl)-N-(7-methyl-6-oxooctyl)cyclohexane-1-carboxamide;molecular hydrogen (CID 156820216) is 4-(2-methylbutoxymethyl)-N-(7-methyl-6-oxooctyl)cyclohexane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 4-(2-methylbutoxymethyl)-N-(7-methyl-6-oxooctyl)cyclohexane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 4-(2-methylbutoxymethyl)-N-(7-methyl-6-oxooctyl)cyclohexane-1-carboxamide;molecular hydrogen is CCC(C)COCC1CCC(C(=O)NCCCCCC(=O)C(C)C)CC1.[H][H].
What is the InChIKey of 4-(2-methylbutoxymethyl)-N-(7-methyl-6-oxooctyl)cyclohexane-1-carboxamide;molecular hydrogen?
The InChIKey is YXBLXOAXTUUEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO3.H2/c1-5-18(4)15-26-16-19-10-12-20(13-11-19)22(25)23-14-8-6-7-9-21(24)17(2)3;/h17-20H,5-16H2,1-4H3,(H,23,25);1H.
What are the key properties of 4-(2-methylbutoxymethyl)-N-(7-methyl-6-oxooctyl)cyclohexane-1-carboxamide;molecular hydrogen?
4-(2-methylbutoxymethyl)-N-(7-methyl-6-oxooctyl)cyclohexane-1-carboxamide;molecular hydrogen has a molecular weight of 369.59 g/mol, XLogP of 5.00, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutoxymethyl)-N-(7-methyl-6-oxooctyl)cyclohexane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 156820216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).