(2R,4R)-N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide

C18H23NO4 — CID 16745424

IUPAC(2R,4R)-N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESC[C@H]1C=C(C(=O)NC2CC2)O[C@@H](OCc2ccc(CO)cc2)C1
InChIInChI=1S/C18H23NO4/c1-12-8-16(18(21)19-15-6-7-15)23-17(9-12)22-11-14-4-2-13(10-20)3-5-14/h2-5,8,12,15,17,20H,6-7,9-11H2,1H3,(H,19,21)/t12-,17+/m0/s1
InChIKeyPYIMFIKMQFYLIY-YVEFUNNKSA-N
MW317.39 g/mol
LogP2.24
Rot. Bonds6

About (2R,4R)-N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide

(2R,4R)-N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 16745424) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2R,4R)-N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID16745424
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name(2R,4R)-N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESC[C@H]1C=C(C(=O)NC2CC2)O[C@@H](OCc2ccc(CO)cc2)C1
InChIInChI=1S/C18H23NO4/c1-12-8-16(18(21)19-15-6-7-15)23-17(9-12)22-11-14-4-2-13(10-20)3-5-14/h2-5,8,12,15,17,20H,6-7,9-11H2,1H3,(H,19,21)/t12-,17+/m0/s1
InChIKeyPYIMFIKMQFYLIY-YVEFUNNKSA-N
XLogP2.24
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,4R)-N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide with MolForge

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Related Compounds

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CID 16195864
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CID 16195880
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CID 16197000
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CID 16197003
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CID 16197028
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CID 16197050
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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,4R)-N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 16745424) is (2R,4R)-N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2R,4R)-N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,4R)-N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide is C[C@H]1C=C(C(=O)NC2CC2)O[C@@H](OCc2ccc(CO)cc2)C1.
What is the InChIKey of (2R,4R)-N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is PYIMFIKMQFYLIY-YVEFUNNKSA-N. The full InChI is InChI=1S/C18H23NO4/c1-12-8-16(18(21)19-15-6-7-15)23-17(9-12)22-11-14-4-2-13(10-20)3-5-14/h2-5,8,12,15,17,20H,6-7,9-11H2,1H3,(H,19,21)/t12-,17+/m0/s1.
What are the key properties of (2R,4R)-N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,4R)-N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-cyclopropyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 16745424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).