2-methoxy-N-[2-oxo-2-[2-[(3-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide

C20H23N3O4 — CID 3948126

IUPAC2-methoxy-N-[2-oxo-2-[2-[(3-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
SMILESCCCOc1cccc(C=NNC(=O)CNC(=O)c2ccccc2OC)c1
InChIInChI=1S/C20H23N3O4/c1-3-11-27-16-8-6-7-15(12-16)13-22-23-19(24)14-21-20(25)17-9-4-5-10-18(17)26-2/h4-10,12-13H,3,11,14H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyKDJIVZBJEMDCAG-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.36
Rot. Bonds9

About 2-methoxy-N-[2-oxo-2-[2-[(3-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide

2-methoxy-N-[2-oxo-2-[2-[(3-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide (PubChem CID 3948126) 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-[(3-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-oxo-2-[2-[(3-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
PubChem CID3948126
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-methoxy-N-[2-oxo-2-[2-[(3-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
SMILESCCCOc1cccc(C=NNC(=O)CNC(=O)c2ccccc2OC)c1
InChIInChI=1S/C20H23N3O4/c1-3-11-27-16-8-6-7-15(12-16)13-22-23-19(24)14-21-20(25)17-9-4-5-10-18(17)26-2/h4-10,12-13H,3,11,14H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyKDJIVZBJEMDCAG-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-[(4-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 3400317
N-[2-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 6144612
N-[2-[2-[(4-butoxy-3-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 4289285
2-chloro-N-[2-[2-[(3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4605421
2-methoxy-N-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6107015
N-[2-oxo-2-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide
CID 3742619
N-[2-oxo-2-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide
CID 3503130
N-[2-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 4311904
2-methyl-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 19061075
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
2-methoxy-N-[2-oxo-2-[2-(pyridin-2-ylmethylidene)hydrazinyl]ethyl]benzamide
CID 3097740

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-oxo-2-[2-[(3-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-oxo-2-[2-[(3-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide (CID 3948126) is 2-methoxy-N-[2-oxo-2-[2-[(3-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-oxo-2-[2-[(3-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-oxo-2-[2-[(3-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide is CCCOc1cccc(C=NNC(=O)CNC(=O)c2ccccc2OC)c1.
What is the InChIKey of 2-methoxy-N-[2-oxo-2-[2-[(3-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide?
The InChIKey is KDJIVZBJEMDCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-3-11-27-16-8-6-7-15(12-16)13-22-23-19(24)14-21-20(25)17-9-4-5-10-18(17)26-2/h4-10,12-13H,3,11,14H2,1-2H3,(H,21,25)(H,23,24).
What are the key properties of 2-methoxy-N-[2-oxo-2-[2-[(3-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide?
2-methoxy-N-[2-oxo-2-[2-[(3-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-[(3-propoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 3948126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).