[2-(4-hydroxybutoxy)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone

C17H29NO5 — CID 4564283

IUPAC[2-(4-hydroxybutoxy)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
SMILESCC(C)C1C=C(C(=O)N2CCOCC2)OC(OCCCCO)C1
InChIInChI=1S/C17H29NO5/c1-13(2)14-11-15(17(20)18-5-9-21-10-6-18)23-16(12-14)22-8-4-3-7-19/h11,13-14,16,19H,3-10,12H2,1-2H3
InChIKeyKDECVXSABTUZFG-UHFFFAOYSA-N
MW327.42 g/mol
LogP1.54
Rot. Bonds7

About [2-(4-hydroxybutoxy)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone

[2-(4-hydroxybutoxy)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone (PubChem CID 4564283) has the molecular formula C17H29NO5 and a molecular weight of 327.42 g/mol. Its IUPAC name is [2-(4-hydroxybutoxy)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(4-hydroxybutoxy)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
PubChem CID4564283
Molecular FormulaC17H29NO5
Molecular Weight327.42 g/mol
Exact Mass327.20
IUPAC Name[2-(4-hydroxybutoxy)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone
SMILESCC(C)C1C=C(C(=O)N2CCOCC2)OC(OCCCCO)C1
InChIInChI=1S/C17H29NO5/c1-13(2)14-11-15(17(20)18-5-9-21-10-6-18)23-16(12-14)22-8-4-3-7-19/h11,13-14,16,19H,3-10,12H2,1-2H3
InChIKeyKDECVXSABTUZFG-UHFFFAOYSA-N
XLogP1.54
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 51.54
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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Frequently Asked Questions

What is the IUPAC name of [2-(4-hydroxybutoxy)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(4-hydroxybutoxy)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone (CID 4564283) is [2-(4-hydroxybutoxy)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(4-hydroxybutoxy)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(4-hydroxybutoxy)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone is CC(C)C1C=C(C(=O)N2CCOCC2)OC(OCCCCO)C1.
What is the InChIKey of [2-(4-hydroxybutoxy)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
The InChIKey is KDECVXSABTUZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO5/c1-13(2)14-11-15(17(20)18-5-9-21-10-6-18)23-16(12-14)22-8-4-3-7-19/h11,13-14,16,19H,3-10,12H2,1-2H3.
What are the key properties of [2-(4-hydroxybutoxy)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone?
[2-(4-hydroxybutoxy)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone has a molecular weight of 327.42 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-hydroxybutoxy)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 4564283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).