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

C12H26N2O3 — CID 55234469

IUPAC2-(propan-2-ylamino)-4-(2-propoxyethoxy)butanamide
SMILESCCCOCCOCCC(NC(C)C)C(N)=O
InChIInChI=1S/C12H26N2O3/c1-4-6-16-8-9-17-7-5-11(12(13)15)14-10(2)3/h10-11,14H,4-9H2,1-3H3,(H2,13,15)
InChIKeyVADXKGRJJGVRCD-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.67
Rot. Bonds11

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

2-(propan-2-ylamino)-4-(2-propoxyethoxy)butanamide (PubChem CID 55234469) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-4-(2-propoxyethoxy)butanamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-4-(2-propoxyethoxy)butanamide
PubChem CID55234469
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-(propan-2-ylamino)-4-(2-propoxyethoxy)butanamide
SMILESCCCOCCOCCC(NC(C)C)C(N)=O
InChIInChI=1S/C12H26N2O3/c1-4-6-16-8-9-17-7-5-11(12(13)15)14-10(2)3/h10-11,14H,4-9H2,1-3H3,(H2,13,15)
InChIKeyVADXKGRJJGVRCD-UHFFFAOYSA-N
XLogP0.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
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-propan-2-yloxyethoxy)butanamide
CID 55144921
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-butoxyethoxy)-2-(propan-2-ylamino)butanoic acid
CID 63041335
4-(2-cyclopropylethoxy)-2-(propan-2-ylamino)butanamide
CID 106204298
4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide
CID 63041185
ethyl 4-butoxy-2-(propan-2-ylamino)butanoate
CID 55143775
methyl 4-hexoxy-2-(propan-2-ylamino)butanoate
CID 55145691
2-(ethylamino)-4-(2-methoxyethoxy)butanamide
CID 63041176
ethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate
CID 63686784
2-(ethylamino)-4-(2-propoxyethoxy)butanoic acid
CID 63685674
ethyl 3-[2-(2-methoxyethoxy)ethoxy]-2-(propan-2-ylamino)propanoate
CID 113427286

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-4-(2-propoxyethoxy)butanamide?
The IUPAC name of 2-(propan-2-ylamino)-4-(2-propoxyethoxy)butanamide (CID 55234469) is 2-(propan-2-ylamino)-4-(2-propoxyethoxy)butanamide.
What is the SMILES notation for 2-(propan-2-ylamino)-4-(2-propoxyethoxy)butanamide?
The canonical SMILES for 2-(propan-2-ylamino)-4-(2-propoxyethoxy)butanamide is CCCOCCOCCC(NC(C)C)C(N)=O.
What is the InChIKey of 2-(propan-2-ylamino)-4-(2-propoxyethoxy)butanamide?
The InChIKey is VADXKGRJJGVRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-4-6-16-8-9-17-7-5-11(12(13)15)14-10(2)3/h10-11,14H,4-9H2,1-3H3,(H2,13,15).
What are the key properties of 2-(propan-2-ylamino)-4-(2-propoxyethoxy)butanamide?
2-(propan-2-ylamino)-4-(2-propoxyethoxy)butanamide has a molecular weight of 246.35 g/mol, XLogP of 0.67, 11 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-propoxyethoxy)butanamide is sourced from PubChem (CID 55234469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).