N-[(2R,3R,6R)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide

C14H22N2O4 — CID 54641494

IUPACN-[(2R,3R,6R)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide
SMILESCCNC(=O)C[C@@H]1C=C[C@@H](NC(=O)C2CC2)[C@H](CO)O1
InChIInChI=1S/C14H22N2O4/c1-2-15-13(18)7-10-5-6-11(12(8-17)20-10)16-14(19)9-3-4-9/h5-6,9-12,17H,2-4,7-8H2,1H3,(H,15,18)(H,16,19)/t10-,11+,12-/m0/s1
InChIKeyPTNZLTSLTQFTNQ-TUAOUCFPSA-N
MW282.34 g/mol
LogP-0.28
Rot. Bonds6

About N-[(2R,3R,6R)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide

N-[(2R,3R,6R)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide (PubChem CID 54641494) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[(2R,3R,6R)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2R,3R,6R)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide
PubChem CID54641494
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC NameN-[(2R,3R,6R)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide
SMILESCCNC(=O)C[C@@H]1C=C[C@@H](NC(=O)C2CC2)[C@H](CO)O1
InChIInChI=1S/C14H22N2O4/c1-2-15-13(18)7-10-5-6-11(12(8-17)20-10)16-14(19)9-3-4-9/h5-6,9-12,17H,2-4,7-8H2,1H3,(H,15,18)(H,16,19)/t10-,11+,12-/m0/s1
InChIKeyPTNZLTSLTQFTNQ-TUAOUCFPSA-N
XLogP-0.28
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,6R)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2R,3R,6R)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide (CID 54641494) is N-[(2R,3R,6R)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2R,3R,6R)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2R,3R,6R)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide is CCNC(=O)C[C@@H]1C=C[C@@H](NC(=O)C2CC2)[C@H](CO)O1.
What is the InChIKey of N-[(2R,3R,6R)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide?
The InChIKey is PTNZLTSLTQFTNQ-TUAOUCFPSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-2-15-13(18)7-10-5-6-11(12(8-17)20-10)16-14(19)9-3-4-9/h5-6,9-12,17H,2-4,7-8H2,1H3,(H,15,18)(H,16,19)/t10-,11+,12-/m0/s1.
What are the key properties of N-[(2R,3R,6R)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide?
N-[(2R,3R,6R)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide has a molecular weight of 282.34 g/mol, XLogP of -0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,6R)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 54641494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).