2-(propan-2-ylamino)-4-(2-propan-2-yloxyethoxy)butanamide

C12H26N2O3 — CID 55144921

IUPAC2-(propan-2-ylamino)-4-(2-propan-2-yloxyethoxy)butanamide
SMILESCC(C)NC(CCOCCOC(C)C)C(N)=O
InChIInChI=1S/C12H26N2O3/c1-9(2)14-11(12(13)15)5-6-16-7-8-17-10(3)4/h9-11,14H,5-8H2,1-4H3,(H2,13,15)
InChIKeyVAMKMAJXRJVUKC-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.67
Rot. Bonds10

About 2-(propan-2-ylamino)-4-(2-propan-2-yloxyethoxy)butanamide

2-(propan-2-ylamino)-4-(2-propan-2-yloxyethoxy)butanamide (PubChem CID 55144921) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-4-(2-propan-2-yloxyethoxy)butanamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-4-(2-propan-2-yloxyethoxy)butanamide
PubChem CID55144921
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-(propan-2-ylamino)-4-(2-propan-2-yloxyethoxy)butanamide
SMILESCC(C)NC(CCOCCOC(C)C)C(N)=O
InChIInChI=1S/C12H26N2O3/c1-9(2)14-11(12(13)15)5-6-16-7-8-17-10(3)4/h9-11,14H,5-8H2,1-4H3,(H2,13,15)
InChIKeyVAMKMAJXRJVUKC-UHFFFAOYSA-N
XLogP0.67
TPSA73.58 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 ≤ 50.67
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-(propan-2-ylamino)-4-(2-propoxyethoxy)butanamide
CID 55234469
4-[2-(3-methoxypropoxy)ethoxy]-2-(propan-2-ylamino)butanamide
CID 103180074
2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanamide
CID 63040815
4-(2-cyclopropylethoxy)-2-(propan-2-ylamino)butanamide
CID 106204298
4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide
CID 63041185
2-(methylamino)-4-propan-2-yloxybutanamide
CID 63041361
methyl 2-(ethylamino)-4-(2-propan-2-yloxyethoxy)butanoate
CID 63040990
ethyl 2-amino-4-(2-propan-2-yloxyethoxy)butanoate
CID 63038922
4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid
CID 55144727
ethyl 4-butoxy-2-(propan-2-ylamino)butanoate
CID 55143775
4-(2-butoxyethoxy)-2-(propan-2-ylamino)butanoic acid
CID 63041335
2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 87184275

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-4-(2-propan-2-yloxyethoxy)butanamide?
The IUPAC name of 2-(propan-2-ylamino)-4-(2-propan-2-yloxyethoxy)butanamide (CID 55144921) is 2-(propan-2-ylamino)-4-(2-propan-2-yloxyethoxy)butanamide.
What is the SMILES notation for 2-(propan-2-ylamino)-4-(2-propan-2-yloxyethoxy)butanamide?
The canonical SMILES for 2-(propan-2-ylamino)-4-(2-propan-2-yloxyethoxy)butanamide is CC(C)NC(CCOCCOC(C)C)C(N)=O.
What is the InChIKey of 2-(propan-2-ylamino)-4-(2-propan-2-yloxyethoxy)butanamide?
The InChIKey is VAMKMAJXRJVUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-9(2)14-11(12(13)15)5-6-16-7-8-17-10(3)4/h9-11,14H,5-8H2,1-4H3,(H2,13,15).
What are the key properties of 2-(propan-2-ylamino)-4-(2-propan-2-yloxyethoxy)butanamide?
2-(propan-2-ylamino)-4-(2-propan-2-yloxyethoxy)butanamide has a molecular weight of 246.35 g/mol, XLogP of 0.67, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-4-(2-propan-2-yloxyethoxy)butanamide is sourced from PubChem (CID 55144921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).