2-methoxy-N-[2-oxo-2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide

C20H23N3O4 — CID 3400317

IUPAC2-methoxy-N-[2-oxo-2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
SMILESCCCOc1ccc(C=NNC(=O)CNC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C20H23N3O4/c1-3-12-27-16-10-8-15(9-11-16)13-22-23-19(24)14-21-20(25)17-6-4-5-7-18(17)26-2/h4-11,13H,3,12,14H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyJPDJRFXCKJMJDX-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.36
Rot. Bonds9

About 2-methoxy-N-[2-oxo-2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide

2-methoxy-N-[2-oxo-2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide (PubChem CID 3400317) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-methoxy-N-[2-oxo-2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-oxo-2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
PubChem CID3400317
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-methoxy-N-[2-oxo-2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
SMILESCCCOc1ccc(C=NNC(=O)CNC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C20H23N3O4/c1-3-12-27-16-10-8-15(9-11-16)13-22-23-19(24)14-21-20(25)17-6-4-5-7-18(17)26-2/h4-11,13H,3,12,14H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyJPDJRFXCKJMJDX-UHFFFAOYSA-N
XLogP2.36
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[2-oxo-2-[2-[(3-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 3948126
2-methoxy-N-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 3907655
N-[2-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 4311904
4-[[[2-[(2-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 2195688
4-[(E)-[[2-[(2-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 6895010
N-[2-[2-[(4-butoxy-3-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 4289285
N-[2-[(2E)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide
CID 45054416
N-[(4-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931427
[4-[[[2-[(4-propoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 3350659
N-[2-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 6144612
[4-[[[2-[(2-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
CID 3554092
4-butoxy-N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3470815

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-oxo-2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-oxo-2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide (CID 3400317) is 2-methoxy-N-[2-oxo-2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-oxo-2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-oxo-2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide is CCCOc1ccc(C=NNC(=O)CNC(=O)c2ccccc2OC)cc1.
What is the InChIKey of 2-methoxy-N-[2-oxo-2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide?
The InChIKey is JPDJRFXCKJMJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-3-12-27-16-10-8-15(9-11-16)13-22-23-19(24)14-21-20(25)17-6-4-5-7-18(17)26-2/h4-11,13H,3,12,14H2,1-2H3,(H,21,25)(H,23,24).
What are the key properties of 2-methoxy-N-[2-oxo-2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide?
2-methoxy-N-[2-oxo-2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide has a molecular weight of 369.42 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-oxo-2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 3400317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).