N-[2-oxo-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]dodecanamide

C27H37N3O3 — CID 6103947

IUPACN-[2-oxo-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(=O)N/N=C\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C27H37N3O3/c1-2-3-4-5-6-7-8-9-13-19-26(31)28-22-27(32)30-29-21-23-15-14-18-25(20-23)33-24-16-11-10-12-17-24/h10-12,14-18,20-21H,2-9,13,19,22H2,1H3,(H,28,31)(H,30,32)/b29-21-
InChIKeyTWWZMAGHNKRLHK-ANYBSYGZSA-N
MW451.61 g/mol
LogP5.97
Rot. Bonds16

About N-[2-oxo-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]dodecanamide

N-[2-oxo-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]dodecanamide (PubChem CID 6103947) has the molecular formula C27H37N3O3 and a molecular weight of 451.61 g/mol. Its IUPAC name is N-[2-oxo-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]dodecanamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]dodecanamide
PubChem CID6103947
Molecular FormulaC27H37N3O3
Molecular Weight451.61 g/mol
Exact Mass451.28
IUPAC NameN-[2-oxo-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC(=O)N/N=C\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C27H37N3O3/c1-2-3-4-5-6-7-8-9-13-19-26(31)28-22-27(32)30-29-21-23-15-14-18-25(20-23)33-24-16-11-10-12-17-24/h10-12,14-18,20-21H,2-9,13,19,22H2,1H3,(H,28,31)(H,30,32)/b29-21-
InChIKeyTWWZMAGHNKRLHK-ANYBSYGZSA-N
XLogP5.97
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 98296303
N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 45054475
N-[2-oxo-2-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide
CID 3742619
[4-[(E)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 51060557
N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]decanamide
CID 6002218
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
2-[4-[(Z)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6117351
3,4,5-trimethoxy-N-[2-oxo-2-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 3274051
[4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate
CID 3870684
N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 5010893
2-(3-methylanilino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide
CID 4537555

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]dodecanamide?
The IUPAC name of N-[2-oxo-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]dodecanamide (CID 6103947) is N-[2-oxo-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]dodecanamide.
What is the SMILES notation for N-[2-oxo-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]dodecanamide?
The canonical SMILES for N-[2-oxo-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]dodecanamide is CCCCCCCCCCCC(=O)NCC(=O)N/N=C\c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[2-oxo-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]dodecanamide?
The InChIKey is TWWZMAGHNKRLHK-ANYBSYGZSA-N. The full InChI is InChI=1S/C27H37N3O3/c1-2-3-4-5-6-7-8-9-13-19-26(31)28-22-27(32)30-29-21-23-15-14-18-25(20-23)33-24-16-11-10-12-17-24/h10-12,14-18,20-21H,2-9,13,19,22H2,1H3,(H,28,31)(H,30,32)/b29-21-.
What are the key properties of N-[2-oxo-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]dodecanamide?
N-[2-oxo-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]dodecanamide has a molecular weight of 451.61 g/mol, XLogP of 5.97, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]dodecanamide is sourced from PubChem (CID 6103947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).