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

C36H70N4O6 — CID 170057233

IUPACN-[[(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
SMILESCC(C)C(=O)NCC1CN(CCOCCCC(C)(C)CCC(C)C(=O)NC[C@@H]2CN(CCOCCCC(C)(C)C)CCO2)CCO1
InChIInChI=1S/C36H70N4O6/c1-29(2)33(41)37-25-31-27-39(17-23-45-31)16-22-44-20-10-13-36(7,8)14-11-30(3)34(42)38-26-32-28-40(18-24-46-32)15-21-43-19-9-12-35(4,5)6/h29-32H,9-28H2,1-8H3,(H,37,41)(H,38,42)/t30?,31?,32-/m1/s1
InChIKeyBRRGWBKSNUZAEP-DQZOQLMQSA-N
MW654.98 g/mol
LogP4.36
Rot. Bonds22

About 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

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 (PubChem CID 170057233) has the molecular formula C36H70N4O6 and a molecular weight of 654.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[(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
PubChem CID170057233
Molecular FormulaC36H70N4O6
Molecular Weight654.98 g/mol
Exact Mass654.53
IUPAC NameN-[[(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
SMILESCC(C)C(=O)NCC1CN(CCOCCCC(C)(C)CCC(C)C(=O)NC[C@@H]2CN(CCOCCCC(C)(C)C)CCO2)CCO1
InChIInChI=1S/C36H70N4O6/c1-29(2)33(41)37-25-31-27-39(17-23-45-31)16-22-44-20-10-13-36(7,8)14-11-30(3)34(42)38-26-32-28-40(18-24-46-32)15-21-43-19-9-12-35(4,5)6/h29-32H,9-28H2,1-8H3,(H,37,41)(H,38,42)/t30?,31?,32-/m1/s1
InChIKeyBRRGWBKSNUZAEP-DQZOQLMQSA-N
XLogP4.36
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500654.98
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-[[(2R)-4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-methylpentanamide
CID 170091257
N-[[(2S)-4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropanamide
CID 156523761
2-methyl-N-[[(2S)-4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide
CID 138727702
N-[[4-[2-(4-aminobutoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropanamide
CID 166118448
ethane;2-methyl-N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide
CID 142616120
N-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 138727616
N-[[4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methyloctanamide
CID 166800924
2-methyl-N-[[(2S)-4-(4-methylpentyl)morpholin-2-yl]methyl]propanamide
CID 166016856
N-[[(2R)-4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]acetamide
CID 156802663
(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]-2-(4,4-dimethylpentyl)morpholine
CID 158651768
2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide
CID 163401131
N-[[4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methylbutan-1-amine
CID 166800930

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C(=O)NCC1CN(CCOCCCC(C)(C)CCC(C)C(=O)NC[C@@H]2CN(CCOCCCC(C)(C)C)CCO2)CCO1.
What is the InChIKey of 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?
The InChIKey is BRRGWBKSNUZAEP-DQZOQLMQSA-N. The full InChI is InChI=1S/C36H70N4O6/c1-29(2)33(41)37-25-31-27-39(17-23-45-31)16-22-44-20-10-13-36(7,8)14-11-30(3)34(42)38-26-32-28-40(18-24-46-32)15-21-43-19-9-12-35(4,5)6/h29-32H,9-28H2,1-8H3,(H,37,41)(H,38,42)/t30?,31?,32-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 654.98 g/mol, XLogP of 4.36, 22 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170057233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).