1-cyclohexylpropan-1-one;ethane;3-[2-(2-methoxyethoxy)ethoxy]propanamide

C19H39NO5 — CID 169158833

IUPAC1-cyclohexylpropan-1-one;ethane;3-[2-(2-methoxyethoxy)ethoxy]propanamide
SMILESCC.CCC(=O)C1CCCCC1.COCCOCCOCCC(N)=O
InChIInChI=1S/C9H16O.C8H17NO4.C2H6/c1-2-9(10)8-6-4-3-5-7-8;1-11-4-5-13-7-6-12-3-2-8(9)10;1-2/h8H,2-7H2,1H3;2-7H2,1H3,(H2,9,10);1-2H3
InChIKeyXBQJOZAPECQACL-UHFFFAOYSA-N
MW361.52 g/mol
LogP3.11
Rot. Bonds11

About 1-cyclohexylpropan-1-one;ethane;3-[2-(2-methoxyethoxy)ethoxy]propanamide

1-cyclohexylpropan-1-one;ethane;3-[2-(2-methoxyethoxy)ethoxy]propanamide (PubChem CID 169158833) has the molecular formula C19H39NO5 and a molecular weight of 361.52 g/mol. Its IUPAC name is 1-cyclohexylpropan-1-one;ethane;3-[2-(2-methoxyethoxy)ethoxy]propanamide.

Molecular Properties

Compound Name1-cyclohexylpropan-1-one;ethane;3-[2-(2-methoxyethoxy)ethoxy]propanamide
PubChem CID169158833
Molecular FormulaC19H39NO5
Molecular Weight361.52 g/mol
Exact Mass361.28
IUPAC Name1-cyclohexylpropan-1-one;ethane;3-[2-(2-methoxyethoxy)ethoxy]propanamide
SMILESCC.CCC(=O)C1CCCCC1.COCCOCCOCCC(N)=O
InChIInChI=1S/C9H16O.C8H17NO4.C2H6/c1-2-9(10)8-6-4-3-5-7-8;1-11-4-5-13-7-6-12-3-2-8(9)10;1-2/h8H,2-7H2,1H3;2-7H2,1H3,(H2,9,10);1-2H3
InChIKeyXBQJOZAPECQACL-UHFFFAOYSA-N
XLogP3.11
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexylpropan-1-one;ethane;4-[[4-(methoxymethyl)cyclohexyl]methoxy]butanamide
CID 169159418
ethane;3-[4-(2-methoxyethoxy)butoxy]propanamide
CID 177319137
1-cyclopentyl-2-[2-(3-methoxypropoxy)ethoxy]ethanone
CID 103178926
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 122695577
1-cyclobutylpropan-1-one;molecular hydrogen;3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide
CID 169158637
N-(2-methoxyethoxy)cyclohexanecarboxamide
CID 79675541
1-cyclohexyl-2-methylpropan-1-one;molecular hydrogen;3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanamide
CID 169159187
2-methoxyethoxymethyl cyclohexanecarboxylate
CID 11287380
3-butoxypropanamide;ethane
CID 176554640
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 89154469
3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 138616319
3-(cyclohexylmethoxy)propanamide
CID 22444983

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpropan-1-one;ethane;3-[2-(2-methoxyethoxy)ethoxy]propanamide?
The IUPAC name of 1-cyclohexylpropan-1-one;ethane;3-[2-(2-methoxyethoxy)ethoxy]propanamide (CID 169158833) is 1-cyclohexylpropan-1-one;ethane;3-[2-(2-methoxyethoxy)ethoxy]propanamide.
What is the SMILES notation for 1-cyclohexylpropan-1-one;ethane;3-[2-(2-methoxyethoxy)ethoxy]propanamide?
The canonical SMILES for 1-cyclohexylpropan-1-one;ethane;3-[2-(2-methoxyethoxy)ethoxy]propanamide is CC.CCC(=O)C1CCCCC1.COCCOCCOCCC(N)=O.
What is the InChIKey of 1-cyclohexylpropan-1-one;ethane;3-[2-(2-methoxyethoxy)ethoxy]propanamide?
The InChIKey is XBQJOZAPECQACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O.C8H17NO4.C2H6/c1-2-9(10)8-6-4-3-5-7-8;1-11-4-5-13-7-6-12-3-2-8(9)10;1-2/h8H,2-7H2,1H3;2-7H2,1H3,(H2,9,10);1-2H3.
What are the key properties of 1-cyclohexylpropan-1-one;ethane;3-[2-(2-methoxyethoxy)ethoxy]propanamide?
1-cyclohexylpropan-1-one;ethane;3-[2-(2-methoxyethoxy)ethoxy]propanamide has a molecular weight of 361.52 g/mol, XLogP of 3.11, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpropan-1-one;ethane;3-[2-(2-methoxyethoxy)ethoxy]propanamide is sourced from PubChem (CID 169158833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).