4-[2-(3-methoxypropoxy)ethoxy]-2-(propan-2-ylamino)butanamide

C13H28N2O4 — CID 103180074

IUPAC4-[2-(3-methoxypropoxy)ethoxy]-2-(propan-2-ylamino)butanamide
SMILESCOCCCOCCOCCC(NC(C)C)C(N)=O
InChIInChI=1S/C13H28N2O4/c1-11(2)15-12(13(14)16)5-8-19-10-9-18-7-4-6-17-3/h11-12,15H,4-10H2,1-3H3,(H2,14,16)
InChIKeyCIVXTUBIJFRYHT-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.30
Rot. Bonds13

About 4-[2-(3-methoxypropoxy)ethoxy]-2-(propan-2-ylamino)butanamide

4-[2-(3-methoxypropoxy)ethoxy]-2-(propan-2-ylamino)butanamide (PubChem CID 103180074) has the molecular formula C13H28N2O4 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[2-(3-methoxypropoxy)ethoxy]-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-[2-(3-methoxypropoxy)ethoxy]-2-(propan-2-ylamino)butanamide
PubChem CID103180074
Molecular FormulaC13H28N2O4
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-[2-(3-methoxypropoxy)ethoxy]-2-(propan-2-ylamino)butanamide
SMILESCOCCCOCCOCCC(NC(C)C)C(N)=O
InChIInChI=1S/C13H28N2O4/c1-11(2)15-12(13(14)16)5-8-19-10-9-18-7-4-6-17-3/h11-12,15H,4-10H2,1-3H3,(H2,14,16)
InChIKeyCIVXTUBIJFRYHT-UHFFFAOYSA-N
XLogP0.30
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-(3-methoxypropoxy)ethoxy]-2-(propan-2-ylamino)butanamide 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

2-(propan-2-ylamino)-4-(2-propoxyethoxy)butanamide
CID 55234469
2-(propan-2-ylamino)-4-(2-propan-2-yloxyethoxy)butanamide
CID 55144921
4-(2-cyclopropylethoxy)-2-(propan-2-ylamino)butanamide
CID 106204298
2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanamide
CID 63040815
4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide
CID 63041185
2-(ethylamino)-4-(2-methoxyethoxy)butanamide
CID 63041176
methyl 4-methoxy-2-(propan-2-ylamino)butanoate
CID 63038753
methyl 4-hexoxy-2-(propan-2-ylamino)butanoate
CID 55145691
2-[2-(3-methoxypropoxy)ethoxy]propanamide
CID 103179570
ethyl 4-butoxy-2-(propan-2-ylamino)butanoate
CID 55143775
4-(2-butoxyethoxy)-2-(propan-2-ylamino)butanoic acid
CID 63041335
2-(3-methoxypropoxy)ethyl 6-amino-2-methylheptanoate
CID 103178676

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxypropoxy)ethoxy]-2-(propan-2-ylamino)butanamide?
The IUPAC name of 4-[2-(3-methoxypropoxy)ethoxy]-2-(propan-2-ylamino)butanamide (CID 103180074) is 4-[2-(3-methoxypropoxy)ethoxy]-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-[2-(3-methoxypropoxy)ethoxy]-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-[2-(3-methoxypropoxy)ethoxy]-2-(propan-2-ylamino)butanamide is COCCCOCCOCCC(NC(C)C)C(N)=O.
What is the InChIKey of 4-[2-(3-methoxypropoxy)ethoxy]-2-(propan-2-ylamino)butanamide?
The InChIKey is CIVXTUBIJFRYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O4/c1-11(2)15-12(13(14)16)5-8-19-10-9-18-7-4-6-17-3/h11-12,15H,4-10H2,1-3H3,(H2,14,16).
What are the key properties of 4-[2-(3-methoxypropoxy)ethoxy]-2-(propan-2-ylamino)butanamide?
4-[2-(3-methoxypropoxy)ethoxy]-2-(propan-2-ylamino)butanamide has a molecular weight of 276.38 g/mol, XLogP of 0.30, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxypropoxy)ethoxy]-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 103180074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).