N-[[4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methyloctanamide

C25H50N2O3 — CID 166800924

IUPACN-[[4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methyloctanamide
SMILESCCCCCCC(C)(CC)C(=O)NCC1CN(CCOCCCC(C)(C)C)CCO1
InChIInChI=1S/C25H50N2O3/c1-7-9-10-11-14-25(6,8-2)23(28)26-20-22-21-27(16-19-30-22)15-18-29-17-12-13-24(3,4)5/h22H,7-21H2,1-6H3,(H,26,28)
InChIKeyBTQOHZRMYPSWTG-UHFFFAOYSA-N
MW426.69 g/mol
LogP5.03
Rot. Bonds15

About N-[[4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methyloctanamide

N-[[4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methyloctanamide (PubChem CID 166800924) has the molecular formula C25H50N2O3 and a molecular weight of 426.69 g/mol. Its IUPAC name is N-[[4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methyloctanamide.

Molecular Properties

Compound NameN-[[4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methyloctanamide
PubChem CID166800924
Molecular FormulaC25H50N2O3
Molecular Weight426.69 g/mol
Exact Mass426.38
IUPAC NameN-[[4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methyloctanamide
SMILESCCCCCCC(C)(CC)C(=O)NCC1CN(CCOCCCC(C)(C)C)CCO1
InChIInChI=1S/C25H50N2O3/c1-7-9-10-11-14-25(6,8-2)23(28)26-20-22-21-27(16-19-30-22)15-18-29-17-12-13-24(3,4)5/h22H,7-21H2,1-6H3,(H,26,28)
InChIKeyBTQOHZRMYPSWTG-UHFFFAOYSA-N
XLogP5.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.69
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[(2S)-4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide
CID 138727702
ethane;2-methyl-N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide
CID 142616120
N-[[(2S)-4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropanamide
CID 156523761
N-[[(2R)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2,5,5-trimethyl-8-[2-[2-[(2-methylpropanoylamino)methyl]morpholin-4-yl]ethoxy]octanamide
CID 170057233
N-[[(2R)-4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-methylpentanamide
CID 170091257
2,2-dimethyl-N-[[4-[2-[2-(3-methylhexan-3-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]butanamide
CID 170249660
(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]-2-(4,4-dimethylpentyl)morpholine
CID 158651768
N-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 138727616
N-[[(2R)-4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]acetamide
CID 156802663
N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]formamide
CID 156795250
2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide
CID 163401131
2-ethyl-2-methyl-N-[2-[2-[2-[4-(2-methylhexan-2-yl)piperazin-1-yl]ethoxy]ethoxy]ethyl]octanamide
CID 170250635

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methyloctanamide?
The IUPAC name of N-[[4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methyloctanamide (CID 166800924) is N-[[4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methyloctanamide.
What is the SMILES notation for N-[[4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methyloctanamide?
The canonical SMILES for N-[[4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methyloctanamide is CCCCCCC(C)(CC)C(=O)NCC1CN(CCOCCCC(C)(C)C)CCO1.
What is the InChIKey of N-[[4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methyloctanamide?
The InChIKey is BTQOHZRMYPSWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N2O3/c1-7-9-10-11-14-25(6,8-2)23(28)26-20-22-21-27(16-19-30-22)15-18-29-17-12-13-24(3,4)5/h22H,7-21H2,1-6H3,(H,26,28).
What are the key properties of N-[[4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methyloctanamide?
N-[[4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methyloctanamide has a molecular weight of 426.69 g/mol, XLogP of 5.03, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methyloctanamide is sourced from PubChem (CID 166800924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).