(3R,4S,5R)-3,4,5,6-tetrahydroxy-N-[(4-methoxyphenyl)methylidene]hexanamide

C14H19NO6 — CID 139626521

IUPAC(3R,4S,5R)-3,4,5,6-tetrahydroxy-N-[(4-methoxyphenyl)methylidene]hexanamide
SMILESCOc1ccc(/C=N/C(=O)C[C@@H](O)[C@H](O)[C@H](O)CO)cc1
InChIInChI=1S/C14H19NO6/c1-21-10-4-2-9(3-5-10)7-15-13(19)6-11(17)14(20)12(18)8-16/h2-5,7,11-12,14,16-18,20H,6,8H2,1H3/b15-7+/t11-,12-,14+/m1/s1
InChIKeyKRCQTEGCCLEKDV-MPDVIWQQSA-N
MW297.31 g/mol
LogP-0.89
Rot. Bonds7

About (3R,4S,5R)-3,4,5,6-tetrahydroxy-N-[(4-methoxyphenyl)methylidene]hexanamide

(3R,4S,5R)-3,4,5,6-tetrahydroxy-N-[(4-methoxyphenyl)methylidene]hexanamide (PubChem CID 139626521) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is (3R,4S,5R)-3,4,5,6-tetrahydroxy-N-[(4-methoxyphenyl)methylidene]hexanamide.

Molecular Properties

Compound Name(3R,4S,5R)-3,4,5,6-tetrahydroxy-N-[(4-methoxyphenyl)methylidene]hexanamide
PubChem CID139626521
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name(3R,4S,5R)-3,4,5,6-tetrahydroxy-N-[(4-methoxyphenyl)methylidene]hexanamide
SMILESCOc1ccc(/C=N/C(=O)C[C@@H](O)[C@H](O)[C@H](O)CO)cc1
InChIInChI=1S/C14H19NO6/c1-21-10-4-2-9(3-5-10)7-15-13(19)6-11(17)14(20)12(18)8-16/h2-5,7,11-12,14,16-18,20H,6,8H2,1H3/b15-7+/t11-,12-,14+/m1/s1
InChIKeyKRCQTEGCCLEKDV-MPDVIWQQSA-N
XLogP-0.89
TPSA119.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4R,5S)-6-[(4-methoxyphenyl)methylideneamino]hexane-1,2,3,4,5-pentol
CID 24774769
(2S,3S,4R,5S)-3,4,5,6-tetrahydroxy-2-[(4-methoxyphenyl)methylideneamino]hexanal
CID 125473879
3,4,5,6-tetrahydroxy-2-[(4-methoxyphenyl)methylideneamino]hexanal
CID 19817378
3-hydroxy-2-[(4-methoxyphenyl)methylideneamino]-N-methylpropanamide
CID 76686566
1-(4-methoxyphenyl)-N-methylmethanimine;propane
CID 142550008
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylideneamino]acetate
CID 101131689
methyl (2S)-2-[(4-methoxyphenyl)methylideneamino]-3-methylbutanoate
CID 10377371
2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-N',N'-dimethylacetohydrazide
CID 9163888
(2S,3R,4R)-2,3,4,5-tetrahydroxy-N-(4-methoxyphenyl)pentanehydrazide
CID 121010077
propan-2-yl 2-[(4-methoxyphenyl)methylideneamino]acetate
CID 14076273
methyl 2-[(4-methoxyphenyl)methylideneamino]propanoate
CID 13240768

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-3,4,5,6-tetrahydroxy-N-[(4-methoxyphenyl)methylidene]hexanamide?
The IUPAC name of (3R,4S,5R)-3,4,5,6-tetrahydroxy-N-[(4-methoxyphenyl)methylidene]hexanamide (CID 139626521) is (3R,4S,5R)-3,4,5,6-tetrahydroxy-N-[(4-methoxyphenyl)methylidene]hexanamide.
What is the SMILES notation for (3R,4S,5R)-3,4,5,6-tetrahydroxy-N-[(4-methoxyphenyl)methylidene]hexanamide?
The canonical SMILES for (3R,4S,5R)-3,4,5,6-tetrahydroxy-N-[(4-methoxyphenyl)methylidene]hexanamide is COc1ccc(/C=N/C(=O)C[C@@H](O)[C@H](O)[C@H](O)CO)cc1.
What is the InChIKey of (3R,4S,5R)-3,4,5,6-tetrahydroxy-N-[(4-methoxyphenyl)methylidene]hexanamide?
The InChIKey is KRCQTEGCCLEKDV-MPDVIWQQSA-N. The full InChI is InChI=1S/C14H19NO6/c1-21-10-4-2-9(3-5-10)7-15-13(19)6-11(17)14(20)12(18)8-16/h2-5,7,11-12,14,16-18,20H,6,8H2,1H3/b15-7+/t11-,12-,14+/m1/s1.
What are the key properties of (3R,4S,5R)-3,4,5,6-tetrahydroxy-N-[(4-methoxyphenyl)methylidene]hexanamide?
(3R,4S,5R)-3,4,5,6-tetrahydroxy-N-[(4-methoxyphenyl)methylidene]hexanamide has a molecular weight of 297.31 g/mol, XLogP of -0.89, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-3,4,5,6-tetrahydroxy-N-[(4-methoxyphenyl)methylidene]hexanamide is sourced from PubChem (CID 139626521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).