4-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pentanamide

C13H18N2O4 — CID 2828255

IUPAC4-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pentanamide
SMILESCOc1cc(C=NNC(=O)CCC(C)O)ccc1O
InChIInChI=1S/C13H18N2O4/c1-9(16)3-6-13(18)15-14-8-10-4-5-11(17)12(7-10)19-2/h4-5,7-9,16-17H,3,6H2,1-2H3,(H,15,18)
InChIKeyHYXAJALOTXIRBF-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.01
Rot. Bonds6

About 4-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pentanamide

4-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pentanamide (PubChem CID 2828255) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pentanamide
PubChem CID2828255
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pentanamide
SMILESCOc1cc(C=NNC(=O)CCC(C)O)ccc1O
InChIInChI=1S/C13H18N2O4/c1-9(16)3-6-13(18)15-14-8-10-4-5-11(17)12(7-10)19-2/h4-5,7-9,16-17H,3,6H2,1-2H3,(H,15,18)
InChIKeyHYXAJALOTXIRBF-UHFFFAOYSA-N
XLogP1.01
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517
8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
CID 135757722
(2R)-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 137172631
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 136503640
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 137168706
1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 135684538
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxyhexanamide
CID 25004847
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135491260
2-[4-[(E)-[[4-[(2E)-2-[[4-(carboxymethyl)-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]-2-methoxyphenyl]acetic acid
CID 71628364
N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
CID 135884833
N-(2,4-dichlorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 135560328

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pentanamide?
The IUPAC name of 4-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pentanamide (CID 2828255) is 4-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pentanamide.
What is the SMILES notation for 4-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pentanamide?
The canonical SMILES for 4-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pentanamide is COc1cc(C=NNC(=O)CCC(C)O)ccc1O.
What is the InChIKey of 4-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pentanamide?
The InChIKey is HYXAJALOTXIRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(16)3-6-13(18)15-14-8-10-4-5-11(17)12(7-10)19-2/h4-5,7-9,16-17H,3,6H2,1-2H3,(H,15,18).
What are the key properties of 4-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pentanamide?
4-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pentanamide has a molecular weight of 266.30 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pentanamide is sourced from PubChem (CID 2828255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).