N-[[4-(2,2-dimethylpent-4-enoyl)-2-methylmorpholin-2-yl]methyl]hexanamide

C19H34N2O3 — CID 154786689

IUPACN-[[4-(2,2-dimethylpent-4-enoyl)-2-methylmorpholin-2-yl]methyl]hexanamide
SMILESC=CCC(C)(C)C(=O)N1CCOC(C)(CNC(=O)CCCCC)C1
InChIInChI=1S/C19H34N2O3/c1-6-8-9-10-16(22)20-14-19(5)15-21(12-13-24-19)17(23)18(3,4)11-7-2/h7H,2,6,8-15H2,1,3-5H3,(H,20,22)
InChIKeyRAARLDJNYZBNHP-UHFFFAOYSA-N
MW338.49 g/mol
LogP2.90
Rot. Bonds9

About N-[[4-(2,2-dimethylpent-4-enoyl)-2-methylmorpholin-2-yl]methyl]hexanamide

N-[[4-(2,2-dimethylpent-4-enoyl)-2-methylmorpholin-2-yl]methyl]hexanamide (PubChem CID 154786689) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is N-[[4-(2,2-dimethylpent-4-enoyl)-2-methylmorpholin-2-yl]methyl]hexanamide.

Molecular Properties

Compound NameN-[[4-(2,2-dimethylpent-4-enoyl)-2-methylmorpholin-2-yl]methyl]hexanamide
PubChem CID154786689
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC NameN-[[4-(2,2-dimethylpent-4-enoyl)-2-methylmorpholin-2-yl]methyl]hexanamide
SMILESC=CCC(C)(C)C(=O)N1CCOC(C)(CNC(=O)CCCCC)C1
InChIInChI=1S/C19H34N2O3/c1-6-8-9-10-16(22)20-14-19(5)15-21(12-13-24-19)17(23)18(3,4)11-7-2/h7H,2,6,8-15H2,1,3-5H3,(H,20,22)
InChIKeyRAARLDJNYZBNHP-UHFFFAOYSA-N
XLogP2.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 119322777
N-[(1-hydroxycyclobutyl)methyl]nonanamide
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N-prop-2-enyloctanamide
CID 4071942
N-[(1-morpholin-4-ylcyclohexyl)methyl]octanamide
CID 134015029
N-[(1-aminocyclobutyl)methyl]decanamide
CID 113412065
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]hexanamide
CID 65118984
N-[(2-methylpyrrolidin-2-yl)methyl]hexanamide
CID 114761896
N-[2,2-dimethyl-3-(octanoylamino)propyl]octanamide
CID 5147569
acetic acid;N-octylhexacosanamide
CID 175173130
N-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide
CID 141198616
4-(3,3-dimethylhexa-1,5-dien-2-yl)morpholine
CID 121013748
N-(2-methyloxiran-2-yl)octadecanamide
CID 141168952

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,2-dimethylpent-4-enoyl)-2-methylmorpholin-2-yl]methyl]hexanamide?
The IUPAC name of N-[[4-(2,2-dimethylpent-4-enoyl)-2-methylmorpholin-2-yl]methyl]hexanamide (CID 154786689) is N-[[4-(2,2-dimethylpent-4-enoyl)-2-methylmorpholin-2-yl]methyl]hexanamide.
What is the SMILES notation for N-[[4-(2,2-dimethylpent-4-enoyl)-2-methylmorpholin-2-yl]methyl]hexanamide?
The canonical SMILES for N-[[4-(2,2-dimethylpent-4-enoyl)-2-methylmorpholin-2-yl]methyl]hexanamide is C=CCC(C)(C)C(=O)N1CCOC(C)(CNC(=O)CCCCC)C1.
What is the InChIKey of N-[[4-(2,2-dimethylpent-4-enoyl)-2-methylmorpholin-2-yl]methyl]hexanamide?
The InChIKey is RAARLDJNYZBNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3/c1-6-8-9-10-16(22)20-14-19(5)15-21(12-13-24-19)17(23)18(3,4)11-7-2/h7H,2,6,8-15H2,1,3-5H3,(H,20,22).
What are the key properties of N-[[4-(2,2-dimethylpent-4-enoyl)-2-methylmorpholin-2-yl]methyl]hexanamide?
N-[[4-(2,2-dimethylpent-4-enoyl)-2-methylmorpholin-2-yl]methyl]hexanamide has a molecular weight of 338.49 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2-dimethylpent-4-enoyl)-2-methylmorpholin-2-yl]methyl]hexanamide is sourced from PubChem (CID 154786689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).