N-[[(2R)-4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-methylpentanamide

C22H44N2O3 — CID 170091257

IUPACN-[[(2R)-4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NC[C@@H]1CN(CCOCCCC(C)(C)CCC)CCO1
InChIInChI=1S/C22H44N2O3/c1-6-9-19(3)21(25)23-17-20-18-24(13-16-27-20)12-15-26-14-8-11-22(4,5)10-7-2/h19-20H,6-18H2,1-5H3,(H,23,25)/t19?,20-/m1/s1
InChIKeyGKXYUPVAUYKEJZ-GFOWMXPYSA-N
MW384.61 g/mol
LogP3.86
Rot. Bonds14

About N-[[(2R)-4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-methylpentanamide

N-[[(2R)-4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-methylpentanamide (PubChem CID 170091257) has the molecular formula C22H44N2O3 and a molecular weight of 384.61 g/mol. Its IUPAC name is N-[[(2R)-4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[[(2R)-4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-methylpentanamide
PubChem CID170091257
Molecular FormulaC22H44N2O3
Molecular Weight384.61 g/mol
Exact Mass384.34
IUPAC NameN-[[(2R)-4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)NC[C@@H]1CN(CCOCCCC(C)(C)CCC)CCO1
InChIInChI=1S/C22H44N2O3/c1-6-9-19(3)21(25)23-17-20-18-24(13-16-27-20)12-15-26-14-8-11-22(4,5)10-7-2/h19-20H,6-18H2,1-5H3,(H,23,25)/t19?,20-/m1/s1
InChIKeyGKXYUPVAUYKEJZ-GFOWMXPYSA-N
XLogP3.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.61
LogP ≤ 53.86
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

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-[[(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
ethane;2-methyl-N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide
CID 142616120
N-[[4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methylbutan-1-amine
CID 166800930
2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide
CID 163401131
N-[[4-[2-(4-aminobutoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropanamide
CID 166118448
N-[[4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methyloctanamide
CID 166800924
N-[[(2R)-4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]acetamide
CID 156802663
2,2-dimethyl-N-[[4-[2-[2-(3-methylhexan-3-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]butanamide
CID 170249660
N-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 138727616
2-methyl-N-[[(2S)-4-(4-methylpentyl)morpholin-2-yl]methyl]propanamide
CID 166016856

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-methylpentanamide?
The IUPAC name of N-[[(2R)-4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-methylpentanamide (CID 170091257) is N-[[(2R)-4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-methylpentanamide.
What is the SMILES notation for N-[[(2R)-4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-methylpentanamide?
The canonical SMILES for N-[[(2R)-4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-methylpentanamide is CCCC(C)C(=O)NC[C@@H]1CN(CCOCCCC(C)(C)CCC)CCO1.
What is the InChIKey of N-[[(2R)-4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-methylpentanamide?
The InChIKey is GKXYUPVAUYKEJZ-GFOWMXPYSA-N. The full InChI is InChI=1S/C22H44N2O3/c1-6-9-19(3)21(25)23-17-20-18-24(13-16-27-20)12-15-26-14-8-11-22(4,5)10-7-2/h19-20H,6-18H2,1-5H3,(H,23,25)/t19?,20-/m1/s1.
What are the key properties of N-[[(2R)-4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-methylpentanamide?
N-[[(2R)-4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-methylpentanamide has a molecular weight of 384.61 g/mol, XLogP of 3.86, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-methylpentanamide is sourced from PubChem (CID 170091257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).