N'-[(2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide

C21H19N3O3 — CID 5144173

IUPACN'-[(2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide
SMILESO=C(CCC(=O)Nc1cccc2ccccc12)NN=Cc1ccccc1O
InChIInChI=1S/C21H19N3O3/c25-19-11-4-2-7-16(19)14-22-24-21(27)13-12-20(26)23-18-10-5-8-15-6-1-3-9-17(15)18/h1-11,14,25H,12-13H2,(H,23,26)(H,24,27)
InChIKeyXGPDEAFKXBGFOK-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.41
Rot. Bonds6

About N'-[(2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide

N'-[(2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide (PubChem CID 5144173) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N'-[(2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide.

Molecular Properties

Compound NameN'-[(2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide
PubChem CID5144173
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN'-[(2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide
SMILESO=C(CCC(=O)Nc1cccc2ccccc12)NN=Cc1ccccc1O
InChIInChI=1S/C21H19N3O3/c25-19-11-4-2-7-16(19)14-22-24-21(27)13-12-20(26)23-18-10-5-8-15-6-1-3-9-17(15)18/h1-11,14,25H,12-13H2,(H,23,26)(H,24,27)
InChIKeyXGPDEAFKXBGFOK-UHFFFAOYSA-N
XLogP3.41
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide
CID 92959506
N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 136861998
N-(4-bromophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 4530785
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N'-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide
CID 5078091
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
N-(4-fluorophenyl)-N'-[(2-hydroxyphenyl)methylideneamino]butanediamide
CID 3766078
N'-[(2-hydroxyphenyl)methylideneamino]-N-(3-methylphenyl)butanediamide
CID 3656052
N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
CID 135509646
N-(2-fluorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]butanediamide
CID 135684747
3-carbazol-9-yl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135495779
N,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide
CID 4547663

Frequently Asked Questions

What is the IUPAC name of N'-[(2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide?
The IUPAC name of N'-[(2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide (CID 5144173) is N'-[(2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide.
What is the SMILES notation for N'-[(2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide?
The canonical SMILES for N'-[(2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide is O=C(CCC(=O)Nc1cccc2ccccc12)NN=Cc1ccccc1O.
What is the InChIKey of N'-[(2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide?
The InChIKey is XGPDEAFKXBGFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-19-11-4-2-7-16(19)14-22-24-21(27)13-12-20(26)23-18-10-5-8-15-6-1-3-9-17(15)18/h1-11,14,25H,12-13H2,(H,23,26)(H,24,27).
What are the key properties of N'-[(2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide?
N'-[(2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide has a molecular weight of 361.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide is sourced from PubChem (CID 5144173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).