N'-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide

C18H21N3O4 — CID 135922679

IUPACN'-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide
SMILESO=C(CCCCCC(=O)N/N=C/c1c(O)ccc2ccccc12)NO
InChIInChI=1S/C18H21N3O4/c22-16-11-10-13-6-4-5-7-14(13)15(16)12-19-20-17(23)8-2-1-3-9-18(24)21-25/h4-7,10-12,22,25H,1-3,8-9H2,(H,20,23)(H,21,24)/b19-12+
InChIKeyMGFWCLLOOQRTHP-XDHOZWIPSA-N
MW343.38 g/mol
LogP2.45
Rot. Bonds8

About N'-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide

N'-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide (PubChem CID 135922679) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N'-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide
PubChem CID135922679
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN'-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide
SMILESO=C(CCCCCC(=O)N/N=C/c1c(O)ccc2ccccc12)NO
InChIInChI=1S/C18H21N3O4/c22-16-11-10-13-6-4-5-7-14(13)15(16)12-19-20-17(23)8-2-1-3-9-18(24)21-25/h4-7,10-12,22,25H,1-3,8-9H2,(H,20,23)(H,21,24)/b19-12+
InChIKeyMGFWCLLOOQRTHP-XDHOZWIPSA-N
XLogP2.45
TPSA111.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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'-(3-hydroxybenzylidene)-3-phenylpropanohydrazide
CID 5337816
2-Hydroxy-1-naphthylaldehyde 3-fluorobenzoylhydrazone
CID 135412822
2-Hydroxy-1-naphthalaldehyde salicyloylhydrazone
CID 135458654
4-Methylbenzoic (2-hydroxy-1-naphthylmethylene)hydrazide
CID 135407190
4-hydroxy-N'-[(2-hydroxy-1-naphthyl)methylene]benzohydrazide
CID 135400287
Pyrrolidin-1-yl-acetic acid (2-hydroxy-naphthalen-1-ylmethylene)-hydrazide
CID 135411944
N'-[(2-hydroxy-1-naphthyl)methylene]benzohydrazide
CID 135400301
N-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]formamide
CID 135676247
Benzoic acid, 4-(1,1-dimethylethyl)-, [(2-hydroxy-1-naphthalenyl)methylene]hydrazide
CID 135459006
Benzylidenehydrazine derivative, 8
CID 42618294
Benzylidenehydrazine derivative, 9
CID 135922676
2-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135837470

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide?
The IUPAC name of N'-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide (CID 135922679) is N'-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide.
What is the SMILES notation for N'-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide?
The canonical SMILES for N'-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide is O=C(CCCCCC(=O)N/N=C/c1c(O)ccc2ccccc12)NO.
What is the InChIKey of N'-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide?
The InChIKey is MGFWCLLOOQRTHP-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H21N3O4/c22-16-11-10-13-6-4-5-7-14(13)15(16)12-19-20-17(23)8-2-1-3-9-18(24)21-25/h4-7,10-12,22,25H,1-3,8-9H2,(H,20,23)(H,21,24)/b19-12+.
What are the key properties of N'-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide?
N'-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide has a molecular weight of 343.38 g/mol, XLogP of 2.45, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide is sourced from PubChem (CID 135922679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).