N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]undecanamide

C22H30N2O2 — CID 135738478

IUPACN-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]undecanamide
SMILESCCCCCCCCCCC(=O)N/N=C\c1c(O)ccc2ccccc12
InChIInChI=1S/C22H30N2O2/c1-2-3-4-5-6-7-8-9-14-22(26)24-23-17-20-19-13-11-10-12-18(19)15-16-21(20)25/h10-13,15-17,25H,2-9,14H2,1H3,(H,24,26)/b23-17-
InChIKeyUNKCDULOFHIRDD-QJOMJCCJSA-N
MW354.49 g/mol
LogP5.53
Rot. Bonds11

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

N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]undecanamide (PubChem CID 135738478) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]undecanamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]undecanamide
PubChem CID135738478
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]undecanamide
SMILESCCCCCCCCCCC(=O)N/N=C\c1c(O)ccc2ccccc12
InChIInChI=1S/C22H30N2O2/c1-2-3-4-5-6-7-8-9-14-22(26)24-23-17-20-19-13-11-10-12-18(19)15-16-21(20)25/h10-13,15-17,25H,2-9,14H2,1H3,(H,24,26)/b23-17-
InChIKeyUNKCDULOFHIRDD-QJOMJCCJSA-N
XLogP5.53
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 55.53
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-[(2-hydroxynaphthalen-1-yl)methylideneamino]dodecanamide
CID 5068789
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[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
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]octanamide
CID 3393777
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[2-[2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide
CID 4142604

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]undecanamide?
The IUPAC name of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]undecanamide (CID 135738478) is N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]undecanamide.
What is the SMILES notation for N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]undecanamide?
The canonical SMILES for N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]undecanamide is CCCCCCCCCCC(=O)N/N=C\c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]undecanamide?
The InChIKey is UNKCDULOFHIRDD-QJOMJCCJSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-2-3-4-5-6-7-8-9-14-22(26)24-23-17-20-19-13-11-10-12-18(19)15-16-21(20)25/h10-13,15-17,25H,2-9,14H2,1H3,(H,24,26)/b23-17-.
What are the key properties of N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]undecanamide?
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]undecanamide has a molecular weight of 354.49 g/mol, XLogP of 5.53, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]undecanamide is sourced from PubChem (CID 135738478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).