2-but-3-enoxy-N-[2-(methylamino)propyl]propanamide

C11H22N2O2 — CID 120828523

IUPAC2-but-3-enoxy-N-[2-(methylamino)propyl]propanamide
SMILESC=CCCOC(C)C(=O)NCC(C)NC
InChIInChI=1S/C11H22N2O2/c1-5-6-7-15-10(3)11(14)13-8-9(2)12-4/h5,9-10,12H,1,6-8H2,2-4H3,(H,13,14)
InChIKeyFGDSOOABHPJDEO-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.69
Rot. Bonds8

About 2-but-3-enoxy-N-[2-(methylamino)propyl]propanamide

2-but-3-enoxy-N-[2-(methylamino)propyl]propanamide (PubChem CID 120828523) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-but-3-enoxy-N-[2-(methylamino)propyl]propanamide.

Molecular Properties

Compound Name2-but-3-enoxy-N-[2-(methylamino)propyl]propanamide
PubChem CID120828523
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-but-3-enoxy-N-[2-(methylamino)propyl]propanamide
SMILESC=CCCOC(C)C(=O)NCC(C)NC
InChIInChI=1S/C11H22N2O2/c1-5-6-7-15-10(3)11(14)13-8-9(2)12-4/h5,9-10,12H,1,6-8H2,2-4H3,(H,13,14)
InChIKeyFGDSOOABHPJDEO-UHFFFAOYSA-N
XLogP0.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enoxy-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]propanamide
CID 111451404
N-[(2S)-1-aminopropan-2-yl]-2-but-3-enoxypropanamide;hydrochloride
CID 120506512
(2S)-2-(2-but-3-enoxypropanoylamino)propanoic acid
CID 103791004
2-but-3-enoxypropanoic acid
CID 43128770
(2S)-2-(2-but-3-enoxypropanoylamino)-3-methylbutanoic acid
CID 119360508
N-(1-amino-2,4-dimethylpentan-2-yl)-2-but-3-enoxypropanamide
CID 119600308
N-(1-amino-4-methylpentan-2-yl)-2-but-3-enoxypropanamide
CID 119588761
2-but-3-enoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394504
N-hydroxy-2-(3-oxopropoxy)propanamide
CID 143800361
N-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide
CID 106398280
2-(2-but-3-enoxypropanoylamino)-2-cyclopropylacetic acid
CID 119213547
2-[2-(ethylamino)ethoxy]-N-prop-2-enylpropanamide
CID 62338219

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-[2-(methylamino)propyl]propanamide?
The IUPAC name of 2-but-3-enoxy-N-[2-(methylamino)propyl]propanamide (CID 120828523) is 2-but-3-enoxy-N-[2-(methylamino)propyl]propanamide.
What is the SMILES notation for 2-but-3-enoxy-N-[2-(methylamino)propyl]propanamide?
The canonical SMILES for 2-but-3-enoxy-N-[2-(methylamino)propyl]propanamide is C=CCCOC(C)C(=O)NCC(C)NC.
What is the InChIKey of 2-but-3-enoxy-N-[2-(methylamino)propyl]propanamide?
The InChIKey is FGDSOOABHPJDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-6-7-15-10(3)11(14)13-8-9(2)12-4/h5,9-10,12H,1,6-8H2,2-4H3,(H,13,14).
What are the key properties of 2-but-3-enoxy-N-[2-(methylamino)propyl]propanamide?
2-but-3-enoxy-N-[2-(methylamino)propyl]propanamide has a molecular weight of 214.31 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-[2-(methylamino)propyl]propanamide is sourced from PubChem (CID 120828523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).