2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyphenyl)carbamoylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide

About 2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyphenyl)carbamoylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide

2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyphenyl)carbamoylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 54639900) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is 2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyphenyl)carbamoylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name	2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyphenyl)carbamoylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID	54639900
Molecular Formula	C24H29N3O5
Molecular Weight	439.51 g/mol
Exact Mass	439.21
IUPAC Name	2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyphenyl)carbamoylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILES	COc1ccccc1NC(=O)N[C@H]1C=C[C@@H](CC(=O)N[C@H](C)c2ccccc2)O[C@H]1CO
InChI	InChI=1S/C24H29N3O5/c1-16(17-8-4-3-5-9-17)25-23(29)14-18-12-13-20(22(15-28)32-18)27-24(30)26-19-10-6-7-11-21(19)31-2/h3-13,16,18,20,22,28H,14-15H2,1-2H3,(H,25,29)(H2,26,27,30)/t16-,18+,20+,22+/m1/s1
InChIKey	WADXMENNSPGANR-NTPMHYTDSA-N
XLogP	2.77
TPSA	108.92 Å²
H-Bond Donors	4
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.51
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyphenyl)carbamoylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide?

The IUPAC name of 2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyphenyl)carbamoylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide (CID 54639900) is 2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyphenyl)carbamoylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide.

What is the SMILES notation for 2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyphenyl)carbamoylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide?

The canonical SMILES for 2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyphenyl)carbamoylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide is COc1ccccc1NC(=O)N[C@H]1C=C[C@@H](CC(=O)N[C@H](C)c2ccccc2)O[C@H]1CO.

What is the InChIKey of 2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyphenyl)carbamoylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide?

The InChIKey is WADXMENNSPGANR-NTPMHYTDSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-16(17-8-4-3-5-9-17)25-23(29)14-18-12-13-20(22(15-28)32-18)27-24(30)26-19-10-6-7-11-21(19)31-2/h3-13,16,18,20,22,28H,14-15H2,1-2H3,(H,25,29)(H2,26,27,30)/t16-,18+,20+,22+/m1/s1.

What are the key properties of 2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyphenyl)carbamoylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide?

2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyphenyl)carbamoylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 439.51 g/mol, XLogP of 2.77, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyphenyl)carbamoylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 54639900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).