2,2-dimethyl-N-[4-[2-(2-methylprop-2-enoxy)ethylamino]-4-oxobutyl]propanamide

C15H28N2O3 — CID 115699624

IUPAC2,2-dimethyl-N-[4-[2-(2-methylprop-2-enoxy)ethylamino]-4-oxobutyl]propanamide
SMILESC=C(C)COCCNC(=O)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-12(2)11-20-10-9-16-13(18)7-6-8-17-14(19)15(3,4)5/h1,6-11H2,2-5H3,(H,16,18)(H,17,19)
InChIKeyJSJUWGBWMLQEFC-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.64
Rot. Bonds9

About 2,2-dimethyl-N-[4-[2-(2-methylprop-2-enoxy)ethylamino]-4-oxobutyl]propanamide

2,2-dimethyl-N-[4-[2-(2-methylprop-2-enoxy)ethylamino]-4-oxobutyl]propanamide (PubChem CID 115699624) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[2-(2-methylprop-2-enoxy)ethylamino]-4-oxobutyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[2-(2-methylprop-2-enoxy)ethylamino]-4-oxobutyl]propanamide
PubChem CID115699624
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2,2-dimethyl-N-[4-[2-(2-methylprop-2-enoxy)ethylamino]-4-oxobutyl]propanamide
SMILESC=C(C)COCCNC(=O)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-12(2)11-20-10-9-16-13(18)7-6-8-17-14(19)15(3,4)5/h1,6-11H2,2-5H3,(H,16,18)(H,17,19)
InChIKeyJSJUWGBWMLQEFC-UHFFFAOYSA-N
XLogP1.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.64
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

3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467912
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467833
N-[2-[2-[3-(2-acetamidoethylamino)-3-oxopropoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
CID 167096270
N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700214
4-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide
CID 114469554
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 114467955
N-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide
CID 114469847
N-[2-[2-[2-(tert-butylamino)-2-oxoethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
CID 166717971
2-(ethylamino)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467973
N-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide
CID 103855692
4-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-N-butylbutanamide
CID 123251408
2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate
CID 90228448

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[2-(2-methylprop-2-enoxy)ethylamino]-4-oxobutyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[2-(2-methylprop-2-enoxy)ethylamino]-4-oxobutyl]propanamide (CID 115699624) is 2,2-dimethyl-N-[4-[2-(2-methylprop-2-enoxy)ethylamino]-4-oxobutyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[2-(2-methylprop-2-enoxy)ethylamino]-4-oxobutyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[2-(2-methylprop-2-enoxy)ethylamino]-4-oxobutyl]propanamide is C=C(C)COCCNC(=O)CCCNC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[4-[2-(2-methylprop-2-enoxy)ethylamino]-4-oxobutyl]propanamide?
The InChIKey is JSJUWGBWMLQEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12(2)11-20-10-9-16-13(18)7-6-8-17-14(19)15(3,4)5/h1,6-11H2,2-5H3,(H,16,18)(H,17,19).
What are the key properties of 2,2-dimethyl-N-[4-[2-(2-methylprop-2-enoxy)ethylamino]-4-oxobutyl]propanamide?
2,2-dimethyl-N-[4-[2-(2-methylprop-2-enoxy)ethylamino]-4-oxobutyl]propanamide has a molecular weight of 284.40 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[2-(2-methylprop-2-enoxy)ethylamino]-4-oxobutyl]propanamide is sourced from PubChem (CID 115699624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).