1-cyclobutylpropan-1-one;molecular hydrogen;3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide

C18H38N2O5 — CID 169158637

IUPAC1-cyclobutylpropan-1-one;molecular hydrogen;3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide
SMILESCC(C)OCCC(=O)NCCOCCC(N)=O.CCC(=O)C1CCC1.[H][H].[H][H]
InChIInChI=1S/C11H22N2O4.C7H12O.2H2/c1-9(2)17-7-4-11(15)13-5-8-16-6-3-10(12)14;1-2-7(8)6-4-3-5-6;;/h9H,3-8H2,1-2H3,(H2,12,14)(H,13,15);6H,2-5H2,1H3;2*1H
InChIKeyIKHJHXBTMKCZCQ-UHFFFAOYSA-N
MW362.51 g/mol
LogP2.07
Rot. Bonds12

About 1-cyclobutylpropan-1-one;molecular hydrogen;3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide

1-cyclobutylpropan-1-one;molecular hydrogen;3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide (PubChem CID 169158637) has the molecular formula C18H38N2O5 and a molecular weight of 362.51 g/mol. Its IUPAC name is 1-cyclobutylpropan-1-one;molecular hydrogen;3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide.

Molecular Properties

Compound Name1-cyclobutylpropan-1-one;molecular hydrogen;3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide
PubChem CID169158637
Molecular FormulaC18H38N2O5
Molecular Weight362.51 g/mol
Exact Mass362.28
IUPAC Name1-cyclobutylpropan-1-one;molecular hydrogen;3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide
SMILESCC(C)OCCC(=O)NCCOCCC(N)=O.CCC(=O)C1CCC1.[H][H].[H][H]
InChIInChI=1S/C11H22N2O4.C7H12O.2H2/c1-9(2)17-7-4-11(15)13-5-8-16-6-3-10(12)14;1-2-7(8)6-4-3-5-6;;/h9H,3-8H2,1-2H3,(H2,12,14)(H,13,15);6H,2-5H2,1H3;2*1H
InChIKeyIKHJHXBTMKCZCQ-UHFFFAOYSA-N
XLogP2.07
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-butan-2-yloxypropanoylamino)ethoxy]propanamide
CID 169159102
N-[2-oxo-2-[(4-propanoylcyclohexyl)amino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide
CID 169158949
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-propan-2-yloxypropanamide
CID 169159444
molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide
CID 169159539
N-[3-(2-methylpropanoyl)cyclobutyl]-3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide;molecular hydrogen
CID 167464240
3-[2-(2-ethoxyethoxy)ethoxy]-N-(2-propan-2-yloxyethyl)propanamide;molecular hydrogen
CID 156820526
1-cyclohexyl-2-methylpropan-1-one;molecular hydrogen;3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanamide
CID 169159187
1-cyclohexylpropan-1-one;ethane;3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 169158833
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
molecular hydrogen;N-[2-oxo-2-[2-(2-oxobutoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide
CID 167464435
5-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide;molecular hydrogen
CID 177338018
molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide
CID 155739531

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylpropan-1-one;molecular hydrogen;3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide?
The IUPAC name of 1-cyclobutylpropan-1-one;molecular hydrogen;3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide (CID 169158637) is 1-cyclobutylpropan-1-one;molecular hydrogen;3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide.
What is the SMILES notation for 1-cyclobutylpropan-1-one;molecular hydrogen;3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide?
The canonical SMILES for 1-cyclobutylpropan-1-one;molecular hydrogen;3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide is CC(C)OCCC(=O)NCCOCCC(N)=O.CCC(=O)C1CCC1.[H][H].[H][H].
What is the InChIKey of 1-cyclobutylpropan-1-one;molecular hydrogen;3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide?
The InChIKey is IKHJHXBTMKCZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4.C7H12O.2H2/c1-9(2)17-7-4-11(15)13-5-8-16-6-3-10(12)14;1-2-7(8)6-4-3-5-6;;/h9H,3-8H2,1-2H3,(H2,12,14)(H,13,15);6H,2-5H2,1H3;2*1H.
What are the key properties of 1-cyclobutylpropan-1-one;molecular hydrogen;3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide?
1-cyclobutylpropan-1-one;molecular hydrogen;3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide has a molecular weight of 362.51 g/mol, XLogP of 2.07, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylpropan-1-one;molecular hydrogen;3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide is sourced from PubChem (CID 169158637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).