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

C12H24N2O2 — CID 106204298

IUPAC4-(2-cyclopropylethoxy)-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(CCOCCC1CC1)C(N)=O
InChIInChI=1S/C12H24N2O2/c1-9(2)14-11(12(13)15)6-8-16-7-5-10-3-4-10/h9-11,14H,3-8H2,1-2H3,(H2,13,15)
InChIKeyJSKZNAXEIZPGTL-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.05
Rot. Bonds9

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

4-(2-cyclopropylethoxy)-2-(propan-2-ylamino)butanamide (PubChem CID 106204298) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-(2-cyclopropylethoxy)-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-(2-cyclopropylethoxy)-2-(propan-2-ylamino)butanamide
PubChem CID106204298
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-(2-cyclopropylethoxy)-2-(propan-2-ylamino)butanamide
SMILESCC(C)NC(CCOCCC1CC1)C(N)=O
InChIInChI=1S/C12H24N2O2/c1-9(2)14-11(12(13)15)6-8-16-7-5-10-3-4-10/h9-11,14H,3-8H2,1-2H3,(H2,13,15)
InChIKeyJSKZNAXEIZPGTL-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopropylmethoxy)-2-(propan-2-ylamino)butanamide
CID 63041185
2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)butanamide
CID 63040815
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-propan-2-yloxyethoxy)butanamide
CID 55144921
methyl 2-amino-4-(2-cyclopropylethoxy)butanoate
CID 106204239
methyl 4-(2-cyclopropylethoxy)-2-(ethylamino)butanoate
CID 106204341
3-(2-cyclobutylethoxy)-2-(propan-2-ylamino)propanoic acid
CID 106204662
ethyl 4-(2-cyclobutylethoxy)-2-(propylamino)butanoate
CID 114157841
4-[cyclopropyl(cyclopropylmethyl)amino]-2-(propan-2-ylamino)butanamide
CID 64521837
ethyl 4-butoxy-2-(propan-2-ylamino)butanoate
CID 55143775
4-(cyclohexylmethoxy)-2-(methylamino)butanamide
CID 63035501

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethoxy)-2-(propan-2-ylamino)butanamide?
The IUPAC name of 4-(2-cyclopropylethoxy)-2-(propan-2-ylamino)butanamide (CID 106204298) is 4-(2-cyclopropylethoxy)-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-(2-cyclopropylethoxy)-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-(2-cyclopropylethoxy)-2-(propan-2-ylamino)butanamide is CC(C)NC(CCOCCC1CC1)C(N)=O.
What is the InChIKey of 4-(2-cyclopropylethoxy)-2-(propan-2-ylamino)butanamide?
The InChIKey is JSKZNAXEIZPGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)14-11(12(13)15)6-8-16-7-5-10-3-4-10/h9-11,14H,3-8H2,1-2H3,(H2,13,15).
What are the key properties of 4-(2-cyclopropylethoxy)-2-(propan-2-ylamino)butanamide?
4-(2-cyclopropylethoxy)-2-(propan-2-ylamino)butanamide has a molecular weight of 228.34 g/mol, XLogP of 1.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethoxy)-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 106204298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).