N-[(2-hydroxynaphthalen-1-yl)methylideneamino]dodecanamide

C23H32N2O2 — CID 5068789

IUPACN-[(2-hydroxynaphthalen-1-yl)methylideneamino]dodecanamide
SMILESCCCCCCCCCCCC(=O)NN=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C23H32N2O2/c1-2-3-4-5-6-7-8-9-10-15-23(27)25-24-18-21-20-14-12-11-13-19(20)16-17-22(21)26/h11-14,16-18,26H,2-10,15H2,1H3,(H,25,27)
InChIKeyYLKWCKNZAFOJDB-UHFFFAOYSA-N
MW368.52 g/mol
LogP5.92
Rot. Bonds12

About N-[(2-hydroxynaphthalen-1-yl)methylideneamino]dodecanamide

N-[(2-hydroxynaphthalen-1-yl)methylideneamino]dodecanamide (PubChem CID 5068789) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]dodecanamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]dodecanamide
PubChem CID5068789
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]dodecanamide
SMILESCCCCCCCCCCCC(=O)NN=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C23H32N2O2/c1-2-3-4-5-6-7-8-9-10-15-23(27)25-24-18-21-20-14-12-11-13-19(20)16-17-22(21)26/h11-14,16-18,26H,2-10,15H2,1H3,(H,25,27)
InChIKeyYLKWCKNZAFOJDB-UHFFFAOYSA-N
XLogP5.92
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]undecanamide
CID 135738478
N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide
CID 3500050
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
CID 135616078
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(4-hydroxyphenyl)butanamide
CID 4245743
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 135491092
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-[2-[2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide
CID 4142604

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]dodecanamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]dodecanamide (CID 5068789) is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]dodecanamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]dodecanamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]dodecanamide is CCCCCCCCCCCC(=O)NN=Cc1c(O)ccc2ccccc12.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]dodecanamide?
The InChIKey is YLKWCKNZAFOJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-2-3-4-5-6-7-8-9-10-15-23(27)25-24-18-21-20-14-12-11-13-19(20)16-17-22(21)26/h11-14,16-18,26H,2-10,15H2,1H3,(H,25,27).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]dodecanamide?
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]dodecanamide has a molecular weight of 368.52 g/mol, XLogP of 5.92, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]dodecanamide is sourced from PubChem (CID 5068789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).