3-[2-(3-butan-2-yloxypropanoylamino)ethoxy]propanamide

C12H24N2O4 — CID 169159102

IUPAC3-[2-(3-butan-2-yloxypropanoylamino)ethoxy]propanamide
SMILESCCC(C)OCCC(=O)NCCOCCC(N)=O
InChIInChI=1S/C12H24N2O4/c1-3-10(2)18-8-5-12(16)14-6-9-17-7-4-11(13)15/h10H,3-9H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyLXEAZTPASRKVQJ-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.20
Rot. Bonds11

About 3-[2-(3-butan-2-yloxypropanoylamino)ethoxy]propanamide

3-[2-(3-butan-2-yloxypropanoylamino)ethoxy]propanamide (PubChem CID 169159102) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 3-[2-(3-butan-2-yloxypropanoylamino)ethoxy]propanamide.

Molecular Properties

Compound Name3-[2-(3-butan-2-yloxypropanoylamino)ethoxy]propanamide
PubChem CID169159102
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name3-[2-(3-butan-2-yloxypropanoylamino)ethoxy]propanamide
SMILESCCC(C)OCCC(=O)NCCOCCC(N)=O
InChIInChI=1S/C12H24N2O4/c1-3-10(2)18-8-5-12(16)14-6-9-17-7-4-11(13)15/h10H,3-9H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyLXEAZTPASRKVQJ-UHFFFAOYSA-N
XLogP0.20
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.20
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

N-[2-(2-amino-2-oxoethoxy)ethyl]-3-propan-2-yloxypropanamide
CID 169159444
1-cyclobutylpropan-1-one;molecular hydrogen;3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide
CID 169158637
3-[3-[2-(4-methyl-3-oxohexoxy)ethylamino]-3-oxopropoxy]-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide
CID 138721605
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 138710366
3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide
CID 176714971
N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide
CID 168852472
molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide
CID 176953270
4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide
CID 176759210
3-(3,3-dimethylpentoxy)-N-[2-[3-(ethylamino)-3-oxopropoxy]ethyl]butanamide;ethane
CID 167448144
ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide
CID 166081207
3-[2-(2-ethoxyethoxy)ethoxy]-N-(2-propan-2-yloxyethyl)propanamide;molecular hydrogen
CID 156820526
2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl N-[2-[2-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 138748213

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-butan-2-yloxypropanoylamino)ethoxy]propanamide?
The IUPAC name of 3-[2-(3-butan-2-yloxypropanoylamino)ethoxy]propanamide (CID 169159102) is 3-[2-(3-butan-2-yloxypropanoylamino)ethoxy]propanamide.
What is the SMILES notation for 3-[2-(3-butan-2-yloxypropanoylamino)ethoxy]propanamide?
The canonical SMILES for 3-[2-(3-butan-2-yloxypropanoylamino)ethoxy]propanamide is CCC(C)OCCC(=O)NCCOCCC(N)=O.
What is the InChIKey of 3-[2-(3-butan-2-yloxypropanoylamino)ethoxy]propanamide?
The InChIKey is LXEAZTPASRKVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-3-10(2)18-8-5-12(16)14-6-9-17-7-4-11(13)15/h10H,3-9H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of 3-[2-(3-butan-2-yloxypropanoylamino)ethoxy]propanamide?
3-[2-(3-butan-2-yloxypropanoylamino)ethoxy]propanamide has a molecular weight of 260.33 g/mol, XLogP of 0.20, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-butan-2-yloxypropanoylamino)ethoxy]propanamide is sourced from PubChem (CID 169159102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).