N-[2-(2-methoxyethylamino)ethyl]-3,4,4-trimethylpentanamide

C13H28N2O2 — CID 82993574

IUPACN-[2-(2-methoxyethylamino)ethyl]-3,4,4-trimethylpentanamide
SMILESCOCCNCCNC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-11(13(2,3)4)10-12(16)15-7-6-14-8-9-17-5/h11,14H,6-10H2,1-5H3,(H,15,16)
InChIKeyZGMPASLYSLYXBI-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.41
Rot. Bonds8

About N-[2-(2-methoxyethylamino)ethyl]-3,4,4-trimethylpentanamide

N-[2-(2-methoxyethylamino)ethyl]-3,4,4-trimethylpentanamide (PubChem CID 82993574) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]-3,4,4-trimethylpentanamide
PubChem CID82993574
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]-3,4,4-trimethylpentanamide
SMILESCOCCNCCNC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-11(13(2,3)4)10-12(16)15-7-6-14-8-9-17-5/h11,14H,6-10H2,1-5H3,(H,15,16)
InChIKeyZGMPASLYSLYXBI-UHFFFAOYSA-N
XLogP1.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxyethoxy)ethyl]-3,4,4-trimethylpentanamide
CID 63832411
N-[3-(ethylamino)propyl]-3,4,4-trimethylpentanamide
CID 63834541
(3R)-N-[(2S)-1-methoxypropan-2-yl]-3,4,4-trimethylpentanamide
CID 97019330
N-(cyanomethyl)-3,4,4-trimethylpentanamide
CID 63820858
N-(4-hydroxypentyl)-3,4,4-trimethylpentanamide
CID 107300156
N-[2-(3-methoxypropanoylamino)ethyl]-3-methylbutanamide
CID 108538534
N-(6-iodohexyl)-3,4,4-trimethylpentanamide
CID 107848081
N-(4-aminopentyl)-3,4,4-trimethylpentanamide
CID 106122483
N-(3-cyanopropyl)-3,4,4-trimethylpentanamide
CID 63832913
3-(dimethylamino)-N-[2-(2-methoxyethylamino)ethyl]propanamide
CID 83039390
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4,4-dimethylpentanamide
CID 113405165
N-[2-(2-methoxyethylamino)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 113344912

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-3,4,4-trimethylpentanamide?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-3,4,4-trimethylpentanamide (CID 82993574) is N-[2-(2-methoxyethylamino)ethyl]-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]-3,4,4-trimethylpentanamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]-3,4,4-trimethylpentanamide is COCCNCCNC(=O)CC(C)C(C)(C)C.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]-3,4,4-trimethylpentanamide?
The InChIKey is ZGMPASLYSLYXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(13(2,3)4)10-12(16)15-7-6-14-8-9-17-5/h11,14H,6-10H2,1-5H3,(H,15,16).
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]-3,4,4-trimethylpentanamide?
N-[2-(2-methoxyethylamino)ethyl]-3,4,4-trimethylpentanamide has a molecular weight of 244.38 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]-3,4,4-trimethylpentanamide is sourced from PubChem (CID 82993574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).