N-[2-[2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide

C27H33N3O2 — CID 4142604

IUPACN-[2-[2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide
SMILESCCCCCCCCCC(=O)NCC(=O)NN=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C27H33N3O2/c1-2-3-4-5-6-7-8-17-26(31)28-20-27(32)30-29-19-25-23-15-11-9-13-21(23)18-22-14-10-12-16-24(22)25/h9-16,18-19H,2-8,17,20H2,1H3,(H,28,31)(H,30,32)
InChIKeyYGDMZSGNMBWQQG-UHFFFAOYSA-N
MW431.58 g/mol
LogP5.70
Rot. Bonds12

About N-[2-[2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide

N-[2-[2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide (PubChem CID 4142604) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-[2-[2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide.

Molecular Properties

Compound NameN-[2-[2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide
PubChem CID4142604
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC NameN-[2-[2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide
SMILESCCCCCCCCCC(=O)NCC(=O)NN=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C27H33N3O2/c1-2-3-4-5-6-7-8-17-26(31)28-20-27(32)30-29-19-25-23-15-11-9-13-21(23)18-22-14-10-12-16-24(22)25/h9-16,18-19H,2-8,17,20H2,1H3,(H,28,31)(H,30,32)
InChIKeyYGDMZSGNMBWQQG-UHFFFAOYSA-N
XLogP5.70
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.70
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]tetradecanamide
CID 45054319
[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-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 136719377
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]dodecanamide
CID 5068789
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]undecanamide
CID 135738478
[1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 6183677
N-[2-[2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 5077393
N-[2-[2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide
CID 4153907
N-[2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 6056379
[1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 6156832
[4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 3667207

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide?
The IUPAC name of N-[2-[2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide (CID 4142604) is N-[2-[2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide.
What is the SMILES notation for N-[2-[2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide?
The canonical SMILES for N-[2-[2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide is CCCCCCCCCC(=O)NCC(=O)NN=Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of N-[2-[2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide?
The InChIKey is YGDMZSGNMBWQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-2-3-4-5-6-7-8-17-26(31)28-20-27(32)30-29-19-25-23-15-11-9-13-21(23)18-22-14-10-12-16-24(22)25/h9-16,18-19H,2-8,17,20H2,1H3,(H,28,31)(H,30,32).
What are the key properties of N-[2-[2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide?
N-[2-[2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide has a molecular weight of 431.58 g/mol, XLogP of 5.70, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide is sourced from PubChem (CID 4142604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).