(2S,4R)-N-cyclohexyl-4-cyclopropyl-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide

C19H31NO4 — CID 23986452

IUPAC(2S,4R)-N-cyclohexyl-4-cyclopropyl-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NC1CCCCC1)C1=C[C@@H](C2CC2)C[C@@H](OCCCCO)O1
InChIInChI=1S/C19H31NO4/c21-10-4-5-11-23-18-13-15(14-8-9-14)12-17(24-18)19(22)20-16-6-2-1-3-7-16/h12,14-16,18,21H,1-11,13H2,(H,20,22)/t15-,18+/m1/s1
InChIKeyLOVNCXGQSCLUPI-QAPCUYQASA-N
MW337.46 g/mol
LogP2.88
Rot. Bonds8

About (2S,4R)-N-cyclohexyl-4-cyclopropyl-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide

(2S,4R)-N-cyclohexyl-4-cyclopropyl-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23986452) has the molecular formula C19H31NO4 and a molecular weight of 337.46 g/mol. Its IUPAC name is (2S,4R)-N-cyclohexyl-4-cyclopropyl-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-cyclohexyl-4-cyclopropyl-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23986452
Molecular FormulaC19H31NO4
Molecular Weight337.46 g/mol
Exact Mass337.23
IUPAC Name(2S,4R)-N-cyclohexyl-4-cyclopropyl-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NC1CCCCC1)C1=C[C@@H](C2CC2)C[C@@H](OCCCCO)O1
InChIInChI=1S/C19H31NO4/c21-10-4-5-11-23-18-13-15(14-8-9-14)12-17(24-18)19(22)20-16-6-2-1-3-7-16/h12,14-16,18,21H,1-11,13H2,(H,20,22)/t15-,18+/m1/s1
InChIKeyLOVNCXGQSCLUPI-QAPCUYQASA-N
XLogP2.88
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.88
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

(2S,4R)-4-cyclopentyl-2-(4-hydroxybutoxy)-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23847009
(2S,4R)-4-cyclopropyl-N-(cyclopropylmethyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23902811
(2R,4R)-N-cyclohexyl-2-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 23902716
(2S,4R)-4-cyclopentyl-N-[(4-fluorophenyl)methyl]-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23902815
(2R,4R)-N-cyclobutyl-4-(4-fluorophenyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23818351
methyl 4-[(2S,4S)-6-(cyclopentylcarbamoyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-4-yl]benzoate
CID 23818434
(2S,4R)-4-cyclopropyl-2-(4-hydroxybutoxy)-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 23846998
(2R,4S)-4-cyclohexyl-N-cyclopropyl-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide
CID 23902639
(2R,4R)-N-cyclopropyl-2-(4-hydroxybutoxy)-4-(4-oxochromen-3-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 24746706
(2S,3R,4R)-4-cyclohexyl-N-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23986578
(2R,4S)-4-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-methoxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23789403
(2S,3R,4R)-4-cyclobutyl-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23986573

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-cyclohexyl-4-cyclopropyl-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2S,4R)-N-cyclohexyl-4-cyclopropyl-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide (CID 23986452) is (2S,4R)-N-cyclohexyl-4-cyclopropyl-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2S,4R)-N-cyclohexyl-4-cyclopropyl-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2S,4R)-N-cyclohexyl-4-cyclopropyl-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide is O=C(NC1CCCCC1)C1=C[C@@H](C2CC2)C[C@@H](OCCCCO)O1.
What is the InChIKey of (2S,4R)-N-cyclohexyl-4-cyclopropyl-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is LOVNCXGQSCLUPI-QAPCUYQASA-N. The full InChI is InChI=1S/C19H31NO4/c21-10-4-5-11-23-18-13-15(14-8-9-14)12-17(24-18)19(22)20-16-6-2-1-3-7-16/h12,14-16,18,21H,1-11,13H2,(H,20,22)/t15-,18+/m1/s1.
What are the key properties of (2S,4R)-N-cyclohexyl-4-cyclopropyl-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide?
(2S,4R)-N-cyclohexyl-4-cyclopropyl-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-cyclohexyl-4-cyclopropyl-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23986452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).