N-(1-ethoxy-3-methylbutan-2-yl)-2-(2-methoxyethylamino)acetamide

C12H26N2O3 — CID 114113781

IUPACN-(1-ethoxy-3-methylbutan-2-yl)-2-(2-methoxyethylamino)acetamide
SMILESCCOCC(NC(=O)CNCCOC)C(C)C
InChIInChI=1S/C12H26N2O3/c1-5-17-9-11(10(2)3)14-12(15)8-13-6-7-16-4/h10-11,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyWNWBWUTWKWHODH-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.40
Rot. Bonds10

About N-(1-ethoxy-3-methylbutan-2-yl)-2-(2-methoxyethylamino)acetamide

N-(1-ethoxy-3-methylbutan-2-yl)-2-(2-methoxyethylamino)acetamide (PubChem CID 114113781) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(1-ethoxy-3-methylbutan-2-yl)-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-(1-ethoxy-3-methylbutan-2-yl)-2-(2-methoxyethylamino)acetamide
PubChem CID114113781
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC NameN-(1-ethoxy-3-methylbutan-2-yl)-2-(2-methoxyethylamino)acetamide
SMILESCCOCC(NC(=O)CNCCOC)C(C)C
InChIInChI=1S/C12H26N2O3/c1-5-17-9-11(10(2)3)14-12(15)8-13-6-7-16-4/h10-11,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyWNWBWUTWKWHODH-UHFFFAOYSA-N
XLogP0.40
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethylamino)-N-(1-ethoxy-3-methylbutan-2-yl)acetamide
CID 114113785
1-ethoxypropan-2-yl 2-(2-methoxyethylamino)acetate
CID 103488949
ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]propanoate
CID 79282260
2-(2-ethoxyethylamino)-N-(3-methylbutan-2-yl)acetamide
CID 61489218
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2-methoxyethylamino)acetamide
CID 79281897
N-butan-2-yl-2-[[2-(2-methoxyethylamino)acetyl]amino]propanamide;hydrochloride
CID 119756312
N-(1-ethoxy-3-methylbutan-2-yl)-2-methoxypropanamide
CID 103274835
N-(5,5-dimethylhexan-2-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119796579
2-(1-aminocyclobutyl)-N-(1-ethoxy-3-methylbutan-2-yl)acetamide
CID 114113758
2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053483
N-ethyl-2-(2-methoxyethylamino)acetamide
CID 28565523
N-(1-hydroxy-3-methylbutan-2-yl)-2-(propylamino)acetamide
CID 79249827

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-2-(2-methoxyethylamino)acetamide (CID 114113781) is N-(1-ethoxy-3-methylbutan-2-yl)-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-(1-ethoxy-3-methylbutan-2-yl)-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-(1-ethoxy-3-methylbutan-2-yl)-2-(2-methoxyethylamino)acetamide is CCOCC(NC(=O)CNCCOC)C(C)C.
What is the InChIKey of N-(1-ethoxy-3-methylbutan-2-yl)-2-(2-methoxyethylamino)acetamide?
The InChIKey is WNWBWUTWKWHODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-5-17-9-11(10(2)3)14-12(15)8-13-6-7-16-4/h10-11,13H,5-9H2,1-4H3,(H,14,15).
What are the key properties of N-(1-ethoxy-3-methylbutan-2-yl)-2-(2-methoxyethylamino)acetamide?
N-(1-ethoxy-3-methylbutan-2-yl)-2-(2-methoxyethylamino)acetamide has a molecular weight of 246.35 g/mol, XLogP of 0.40, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-3-methylbutan-2-yl)-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 114113781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).