N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide

C19H18N4O4 — CID 4846808

IUPACN-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
SMILESN#Cc1ccccc1OCC(=O)NNC(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C19H18N4O4/c20-12-15-8-4-5-9-16(15)27-13-18(25)23-22-17(24)10-11-21-19(26)14-6-2-1-3-7-14/h1-9H,10-11,13H2,(H,21,26)(H,22,24)(H,23,25)
InChIKeyROZWVQKQKOPGOA-UHFFFAOYSA-N
MW366.38 g/mol
LogP0.90
Rot. Bonds7

About N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide

N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 4846808) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
PubChem CID4846808
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
SMILESN#Cc1ccccc1OCC(=O)NNC(=O)CCNC(=O)c1ccccc1
InChIInChI=1S/C19H18N4O4/c20-12-15-8-4-5-9-16(15)27-13-18(25)23-22-17(24)10-11-21-19(26)14-6-2-1-3-7-14/h1-9H,10-11,13H2,(H,21,26)(H,22,24)(H,23,25)
InChIKeyROZWVQKQKOPGOA-UHFFFAOYSA-N
XLogP0.90
TPSA120.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 4788595
4-tert-butyl-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 4790897
4-tert-butyl-N-[3-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 4791427
N-benzyl-4-oxo-4-[2-(phenoxyacetyl)hydrazino]butanamide
CID 4027266
4-bromo-N-[3-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 24818372
N-[3-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 4787901
N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 4790945
2-methoxy-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide
CID 24820026
N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 24982102
N''-[2-(2-methylphenoxy)acetyl]-3-phthalimido-propionohydrazide
CID 1586454
N-benzyl-4-[2-(2-methoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 2214536
3-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 4849183

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide (CID 4846808) is N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide is N#Cc1ccccc1OCC(=O)NNC(=O)CCNC(=O)c1ccccc1.
What is the InChIKey of N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is ROZWVQKQKOPGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c20-12-15-8-4-5-9-16(15)27-13-18(25)23-22-17(24)10-11-21-19(26)14-6-2-1-3-7-14/h1-9H,10-11,13H2,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 366.38 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 4846808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).