N-(2-methoxyethyl)-3-methyl-3-pentyl-N-propyldecanamide

C22H45NO2 — CID 154980658

IUPACN-(2-methoxyethyl)-3-methyl-3-pentyl-N-propyldecanamide
SMILESCCCCCCCC(C)(CCCCC)CC(=O)N(CCC)CCOC
InChIInChI=1S/C22H45NO2/c1-6-9-11-12-14-16-22(4,15-13-10-7-2)20-21(24)23(17-8-3)18-19-25-5/h6-20H2,1-5H3
InChIKeyBUKQTZULOYDDNX-UHFFFAOYSA-N
MW355.61 g/mol
LogP6.21
Rot. Bonds17

About N-(2-methoxyethyl)-3-methyl-3-pentyl-N-propyldecanamide

N-(2-methoxyethyl)-3-methyl-3-pentyl-N-propyldecanamide (PubChem CID 154980658) has the molecular formula C22H45NO2 and a molecular weight of 355.61 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-3-pentyl-N-propyldecanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-3-pentyl-N-propyldecanamide
PubChem CID154980658
Molecular FormulaC22H45NO2
Molecular Weight355.61 g/mol
Exact Mass355.35
IUPAC NameN-(2-methoxyethyl)-3-methyl-3-pentyl-N-propyldecanamide
SMILESCCCCCCCC(C)(CCCCC)CC(=O)N(CCC)CCOC
InChIInChI=1S/C22H45NO2/c1-6-9-11-12-14-16-22(4,15-13-10-7-2)20-21(24)23(17-8-3)18-19-25-5/h6-20H2,1-5H3
InChIKeyBUKQTZULOYDDNX-UHFFFAOYSA-N
XLogP6.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.61
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(2-methoxyethyl)-N-propylacetamide
CID 91014126
methyl 3-dodecyl-3-methylpentadecanoate
CID 175183210
methyl 3-[2-methoxyethyl(octanoyl)amino]propanoate
CID 78959043
methyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate
CID 78959098
N,N-dipropylnonadecanamide
CID 12960009
N-(2-cyanoethyl)-N-(2-methoxyethyl)nonanamide
CID 63237477
N,N-bis(2-ethoxyethyl)dodecanamide
CID 87526086
N-decyl-N-(2-methoxyethyl)-2-methylpropanamide
CID 10039592
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N,N-di(tetradecyl)acetamide
CID 163192847
2-[butanoyl-[2-(2-nonylundecanoyloxy)ethyl]amino]ethyl 2-nonylundecanoate
CID 176950417
N-butyl-3,3-dimethyl-N-pentylbutanamide
CID 18736050
N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide
CID 112729251

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methyl-3-pentyl-N-propyldecanamide?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-3-pentyl-N-propyldecanamide (CID 154980658) is N-(2-methoxyethyl)-3-methyl-3-pentyl-N-propyldecanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-3-pentyl-N-propyldecanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-3-pentyl-N-propyldecanamide is CCCCCCCC(C)(CCCCC)CC(=O)N(CCC)CCOC.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-3-pentyl-N-propyldecanamide?
The InChIKey is BUKQTZULOYDDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO2/c1-6-9-11-12-14-16-22(4,15-13-10-7-2)20-21(24)23(17-8-3)18-19-25-5/h6-20H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-3-methyl-3-pentyl-N-propyldecanamide?
N-(2-methoxyethyl)-3-methyl-3-pentyl-N-propyldecanamide has a molecular weight of 355.61 g/mol, XLogP of 6.21, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methyl-3-pentyl-N-propyldecanamide is sourced from PubChem (CID 154980658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).