2-methyl-1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one

C18H29NO5 — CID 169159364

IUPAC2-methyl-1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one
SMILESCC(C)OCCOCCOCCOc1ccnc(C(=O)C(C)C)c1
InChIInChI=1S/C18H29NO5/c1-14(2)18(20)17-13-16(5-6-19-17)24-12-10-22-8-7-21-9-11-23-15(3)4/h5-6,13-15H,7-12H2,1-4H3
InChIKeyWMPUDDKTRMTTCM-UHFFFAOYSA-N
MW339.43 g/mol
LogP2.76
Rot. Bonds13

About 2-methyl-1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one

2-methyl-1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one (PubChem CID 169159364) has the molecular formula C18H29NO5 and a molecular weight of 339.43 g/mol. Its IUPAC name is 2-methyl-1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one
PubChem CID169159364
Molecular FormulaC18H29NO5
Molecular Weight339.43 g/mol
Exact Mass339.20
IUPAC Name2-methyl-1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one
SMILESCC(C)OCCOCCOCCOc1ccnc(C(=O)C(C)C)c1
InChIInChI=1S/C18H29NO5/c1-14(2)18(20)17-13-16(5-6-19-17)24-12-10-22-8-7-21-9-11-23-15(3)4/h5-6,13-15H,7-12H2,1-4H3
InChIKeyWMPUDDKTRMTTCM-UHFFFAOYSA-N
XLogP2.76
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one (CID 169159364) is 2-methyl-1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one is CC(C)OCCOCCOCCOc1ccnc(C(=O)C(C)C)c1.
What is the InChIKey of 2-methyl-1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one?
The InChIKey is WMPUDDKTRMTTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO5/c1-14(2)18(20)17-13-16(5-6-19-17)24-12-10-22-8-7-21-9-11-23-15(3)4/h5-6,13-15H,7-12H2,1-4H3.
What are the key properties of 2-methyl-1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one?
2-methyl-1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one has a molecular weight of 339.43 g/mol, XLogP of 2.76, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]propan-1-one is sourced from PubChem (CID 169159364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).