N-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]tetradecanamide

C27H39N3O2 — CID 45054319

IUPACN-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc2ccccc12
InChIInChI=1S/C27H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-20-26(31)28-22-27(32)30-29-21-24-18-15-17-23-16-13-14-19-25(23)24/h13-19,21H,2-12,20,22H2,1H3,(H,28,31)(H,30,32)/b29-21+
InChIKeyQWBLAYICHHXHAL-XHLNEMQHSA-N
MW437.63 g/mol
LogP6.11
Rot. Bonds16

About N-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]tetradecanamide

N-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]tetradecanamide (PubChem CID 45054319) has the molecular formula C27H39N3O2 and a molecular weight of 437.63 g/mol. Its IUPAC name is N-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]tetradecanamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]tetradecanamide
PubChem CID45054319
Molecular FormulaC27H39N3O2
Molecular Weight437.63 g/mol
Exact Mass437.30
IUPAC NameN-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc2ccccc12
InChIInChI=1S/C27H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-20-26(31)28-22-27(32)30-29-21-24-18-15-17-23-16-13-14-19-25(23)24/h13-19,21H,2-12,20,22H2,1H3,(H,28,31)(H,30,32)/b29-21+
InChIKeyQWBLAYICHHXHAL-XHLNEMQHSA-N
XLogP6.11
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.63
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 136719377
N-[2-[2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide
CID 4142604
N-[2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 6056379
N-[2-[2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide
CID 4153907
[1-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 4077342
[1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 98298390
N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide
CID 92959506
[4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 3667207
N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 5063560
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(2-methylphenyl)methylideneamino]undecanamide
CID 4136077

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]tetradecanamide?
The IUPAC name of N-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]tetradecanamide (CID 45054319) is N-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]tetradecanamide.
What is the SMILES notation for N-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]tetradecanamide?
The canonical SMILES for N-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]tetradecanamide is CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc2ccccc12.
What is the InChIKey of N-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]tetradecanamide?
The InChIKey is QWBLAYICHHXHAL-XHLNEMQHSA-N. The full InChI is InChI=1S/C27H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-20-26(31)28-22-27(32)30-29-21-24-18-15-17-23-16-13-14-19-25(23)24/h13-19,21H,2-12,20,22H2,1H3,(H,28,31)(H,30,32)/b29-21+.
What are the key properties of N-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]tetradecanamide?
N-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]tetradecanamide has a molecular weight of 437.63 g/mol, XLogP of 6.11, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]tetradecanamide is sourced from PubChem (CID 45054319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).