3-(2-amino-2-ethylbutoxy)-N-cyclopropylpropanamide

C12H24N2O2 — CID 64574012

IUPAC3-(2-amino-2-ethylbutoxy)-N-cyclopropylpropanamide
SMILESCCC(N)(CC)COCCC(=O)NC1CC1
InChIInChI=1S/C12H24N2O2/c1-3-12(13,4-2)9-16-8-7-11(15)14-10-5-6-10/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyXCGJJMVUFTXTRF-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.19
Rot. Bonds8

About 3-(2-amino-2-ethylbutoxy)-N-cyclopropylpropanamide

3-(2-amino-2-ethylbutoxy)-N-cyclopropylpropanamide (PubChem CID 64574012) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(2-amino-2-ethylbutoxy)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(2-amino-2-ethylbutoxy)-N-cyclopropylpropanamide
PubChem CID64574012
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-(2-amino-2-ethylbutoxy)-N-cyclopropylpropanamide
SMILESCCC(N)(CC)COCCC(=O)NC1CC1
InChIInChI=1S/C12H24N2O2/c1-3-12(13,4-2)9-16-8-7-11(15)14-10-5-6-10/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyXCGJJMVUFTXTRF-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.19
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

N-[4-(ethylamino)cyclohexyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103206325
N-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride
CID 119475217
2-(2-amino-2-methylbutoxy)-N-cyclopropylacetamide
CID 64572744
molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide
CID 169159539
cis-(1R,3S)-3-(3-propoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 106321388
N,N'-dicyclopropylbutanediamide
CID 5225156
N-(azepan-4-yl)-3-propoxypropanamide
CID 107172337
cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120675923
2-[4-(cyclopropylamino)-4-oxobutanoyl]oxyethyl 4-(cyclopropylamino)-4-oxobutanoate
CID 59002737
ethane;4-[3-(2-methoxyethoxy)propanoylamino]-N-(2-oxobutyl)cyclohexane-1-carboxamide
CID 169159604
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-3-propoxypropanamide
CID 55247689
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103805909

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-ethylbutoxy)-N-cyclopropylpropanamide?
The IUPAC name of 3-(2-amino-2-ethylbutoxy)-N-cyclopropylpropanamide (CID 64574012) is 3-(2-amino-2-ethylbutoxy)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(2-amino-2-ethylbutoxy)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(2-amino-2-ethylbutoxy)-N-cyclopropylpropanamide is CCC(N)(CC)COCCC(=O)NC1CC1.
What is the InChIKey of 3-(2-amino-2-ethylbutoxy)-N-cyclopropylpropanamide?
The InChIKey is XCGJJMVUFTXTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-12(13,4-2)9-16-8-7-11(15)14-10-5-6-10/h10H,3-9,13H2,1-2H3,(H,14,15).
What are the key properties of 3-(2-amino-2-ethylbutoxy)-N-cyclopropylpropanamide?
3-(2-amino-2-ethylbutoxy)-N-cyclopropylpropanamide has a molecular weight of 228.34 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-ethylbutoxy)-N-cyclopropylpropanamide is sourced from PubChem (CID 64574012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).