2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylhexanamide

C12H25N3O3 — CID 54873029

IUPAC2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylhexanamide
SMILESCCCCC(N)C(=O)N(C)CC(=O)NCCOC
InChIInChI=1S/C12H25N3O3/c1-4-5-6-10(13)12(17)15(2)9-11(16)14-7-8-18-3/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyCRQIFSWLIKFDLE-UHFFFAOYSA-N
MW259.35 g/mol
LogP-0.28
Rot. Bonds9

About 2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylhexanamide

2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylhexanamide (PubChem CID 54873029) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylhexanamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylhexanamide
PubChem CID54873029
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylhexanamide
SMILESCCCCC(N)C(=O)N(C)CC(=O)NCCOC
InChIInChI=1S/C12H25N3O3/c1-4-5-6-10(13)12(17)15(2)9-11(16)14-7-8-18-3/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyCRQIFSWLIKFDLE-UHFFFAOYSA-N
XLogP-0.28
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylpentanamide
CID 93373594
2-amino-4-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide
CID 62474499
2-amino-4-methoxy-N-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 62472504
4-amino-5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-5-oxopentanoic acid
CID 64890489
(2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbutanamide
CID 61163444
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 61164170
2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]hexanamide
CID 54871547
(2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylpentanamide
CID 61163445
2-amino-5-methoxy-N-methyl-N-pentylpentanamide
CID 81082325
(2R)-2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylpentanamide
CID 103795683
4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid
CID 64890082
2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,3-dimethylpentanamide
CID 54874167

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylhexanamide?
The IUPAC name of 2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylhexanamide (CID 54873029) is 2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylhexanamide.
What is the SMILES notation for 2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylhexanamide?
The canonical SMILES for 2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylhexanamide is CCCCC(N)C(=O)N(C)CC(=O)NCCOC.
What is the InChIKey of 2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylhexanamide?
The InChIKey is CRQIFSWLIKFDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-4-5-6-10(13)12(17)15(2)9-11(16)14-7-8-18-3/h10H,4-9,13H2,1-3H3,(H,14,16).
What are the key properties of 2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylhexanamide?
2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylhexanamide has a molecular weight of 259.35 g/mol, XLogP of -0.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylhexanamide is sourced from PubChem (CID 54873029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).