4-(diethylamino)-N-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]benzamide

C17H26N2O6 — CID 139765270

IUPAC4-(diethylamino)-N-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]benzamide
SMILESCCN(CC)c1ccc(C(=O)N[C@@H](C=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc1
InChIInChI=1S/C17H26N2O6/c1-3-19(4-2)12-7-5-11(6-8-12)17(25)18-13(9-20)15(23)16(24)14(22)10-21/h5-9,13-16,21-24H,3-4,10H2,1-2H3,(H,18,25)/t13-,14+,15-,16-/m0/s1
InChIKeyOFWKVJDXWMYIGI-FZKCQIBNSA-N
MW354.40 g/mol
LogP-1.09
Rot. Bonds10

About 4-(diethylamino)-N-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]benzamide

4-(diethylamino)-N-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]benzamide (PubChem CID 139765270) has the molecular formula C17H26N2O6 and a molecular weight of 354.40 g/mol. Its IUPAC name is 4-(diethylamino)-N-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]benzamide
PubChem CID139765270
Molecular FormulaC17H26N2O6
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Name4-(diethylamino)-N-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]benzamide
SMILESCCN(CC)c1ccc(C(=O)N[C@@H](C=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc1
InChIInChI=1S/C17H26N2O6/c1-3-19(4-2)12-7-5-11(6-8-12)17(25)18-13(9-20)15(23)16(24)14(22)10-21/h5-9,13-16,21-24H,3-4,10H2,1-2H3,(H,18,25)/t13-,14+,15-,16-/m0/s1
InChIKeyOFWKVJDXWMYIGI-FZKCQIBNSA-N
XLogP-1.09
TPSA130.33 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 5-1.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(diethylamino)-N-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]benzamide with MolForge

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Related Compounds

4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 79031417
4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65312704
2-[[4-(diethylamino)benzoyl]amino]-3-hydroxypropanoic acid
CID 43241212
N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
CID 87277694
N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide;N-[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
CID 87346287
N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide;hydrate
CID 22868018
N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]hexanamide
CID 20622219
N-[(2S)-1-aminopropan-2-yl]-4-[butyl(ethyl)amino]benzamide
CID 120505281
2,2-dichloro-N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
CID 25174847
4-(diethylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 107846242
2-fluoro-N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
CID 3081581
[methyl-[(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)carbamoyl]amino]-oxidoazanium
CID 129010038

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]benzamide?
The IUPAC name of 4-(diethylamino)-N-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]benzamide (CID 139765270) is 4-(diethylamino)-N-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]benzamide.
What is the SMILES notation for 4-(diethylamino)-N-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]benzamide?
The canonical SMILES for 4-(diethylamino)-N-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]benzamide is CCN(CC)c1ccc(C(=O)N[C@@H](C=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc1.
What is the InChIKey of 4-(diethylamino)-N-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]benzamide?
The InChIKey is OFWKVJDXWMYIGI-FZKCQIBNSA-N. The full InChI is InChI=1S/C17H26N2O6/c1-3-19(4-2)12-7-5-11(6-8-12)17(25)18-13(9-20)15(23)16(24)14(22)10-21/h5-9,13-16,21-24H,3-4,10H2,1-2H3,(H,18,25)/t13-,14+,15-,16-/m0/s1.
What are the key properties of 4-(diethylamino)-N-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]benzamide?
4-(diethylamino)-N-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]benzamide has a molecular weight of 354.40 g/mol, XLogP of -1.09, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]benzamide is sourced from PubChem (CID 139765270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).