N-[(4-chlorophenyl)methyl]-2-[(2R,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide

About N-[(4-chlorophenyl)methyl]-2-[(2R,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide

N-[(4-chlorophenyl)methyl]-2-[(2R,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide (PubChem CID 54641737) has the molecular formula C19H26ClN3O4 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[(2R,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide.

Molecular Properties

Compound Name	N-[(4-chlorophenyl)methyl]-2-[(2R,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
PubChem CID	54641737
Molecular Formula	C19H26ClN3O4
Molecular Weight	395.89 g/mol
Exact Mass	395.16
IUPAC Name	N-[(4-chlorophenyl)methyl]-2-[(2R,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
SMILES	CN(C)CC(=O)N[C@H]1C=C[C@@H](CC(=O)NCc2ccc(Cl)cc2)O[C@H]1CO
InChI	InChI=1S/C19H26ClN3O4/c1-23(2)11-19(26)22-16-8-7-15(27-17(16)12-24)9-18(25)21-10-13-3-5-14(20)6-4-13/h3-8,15-17,24H,9-12H2,1-2H3,(H,21,25)(H,22,26)/t15-,16-,17-/m0/s1
InChIKey	VCIKDIOFMNBODN-ULQDDVLXSA-N
XLogP	0.71
TPSA	90.90 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.89
LogP ≤ 5	0.71
H-Bond Donors ≤ 5	3
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 N-[(4-chlorophenyl)methyl]-2-[(2R,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide?

The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(2R,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide (CID 54641737) is N-[(4-chlorophenyl)methyl]-2-[(2R,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide.

What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[(2R,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide?

The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[(2R,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide is CN(C)CC(=O)N[C@H]1C=C[C@@H](CC(=O)NCc2ccc(Cl)cc2)O[C@H]1CO.

What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[(2R,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide?

The InChIKey is VCIKDIOFMNBODN-ULQDDVLXSA-N. The full InChI is InChI=1S/C19H26ClN3O4/c1-23(2)11-19(26)22-16-8-7-15(27-17(16)12-24)9-18(25)21-10-13-3-5-14(20)6-4-13/h3-8,15-17,24H,9-12H2,1-2H3,(H,21,25)(H,22,26)/t15-,16-,17-/m0/s1.

What are the key properties of N-[(4-chlorophenyl)methyl]-2-[(2R,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide?

N-[(4-chlorophenyl)methyl]-2-[(2R,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide has a molecular weight of 395.89 g/mol, XLogP of 0.71, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-2-[(2R,3S,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide is sourced from PubChem (CID 54641737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).