N-(3-hydrazinyl-3-oxo-1-phenylpropyl)-2-methoxybenzamide

C17H19N3O3 — CID 3102871

IUPACN-(3-hydrazinyl-3-oxo-1-phenylpropyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(CC(=O)NN)c1ccccc1
InChIInChI=1S/C17H19N3O3/c1-23-15-10-6-5-9-13(15)17(22)19-14(11-16(21)20-18)12-7-3-2-4-8-12/h2-10,14H,11,18H2,1H3,(H,19,22)(H,20,21)
InChIKeyJYXCAYQYIYWELM-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.55
Rot. Bonds6

About N-(3-hydrazinyl-3-oxo-1-phenylpropyl)-2-methoxybenzamide

N-(3-hydrazinyl-3-oxo-1-phenylpropyl)-2-methoxybenzamide (PubChem CID 3102871) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(3-hydrazinyl-3-oxo-1-phenylpropyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(3-hydrazinyl-3-oxo-1-phenylpropyl)-2-methoxybenzamide
PubChem CID3102871
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(3-hydrazinyl-3-oxo-1-phenylpropyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(CC(=O)NN)c1ccccc1
InChIInChI=1S/C17H19N3O3/c1-23-15-10-6-5-9-13(15)17(22)19-14(11-16(21)20-18)12-7-3-2-4-8-12/h2-10,14H,11,18H2,1H3,(H,19,22)(H,20,21)
InChIKeyJYXCAYQYIYWELM-UHFFFAOYSA-N
XLogP1.55
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043
N-(2-chloro-1-phenylethyl)-2-methoxybenzamide
CID 114300240
2-methoxybenzohydrazide
CID 24051
methyl (3S)-3-(4-chlorophenyl)-3-[(2-methoxybenzoyl)amino]propanoate
CID 40813309
N-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide
CID 63753586
3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid
CID 45461179
2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945214
(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid
CID 93262749
N-(1-aminobutan-2-yl)-2-methoxybenzamide
CID 63753352
N-(2-chloro-1-phenylethyl)-2-ethoxybenzamide
CID 114300243
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55380231
2-(2-methylpropoxy)-N-(1-phenylpropyl)benzamide
CID 43911530

Frequently Asked Questions

What is the IUPAC name of N-(3-hydrazinyl-3-oxo-1-phenylpropyl)-2-methoxybenzamide?
The IUPAC name of N-(3-hydrazinyl-3-oxo-1-phenylpropyl)-2-methoxybenzamide (CID 3102871) is N-(3-hydrazinyl-3-oxo-1-phenylpropyl)-2-methoxybenzamide.
What is the SMILES notation for N-(3-hydrazinyl-3-oxo-1-phenylpropyl)-2-methoxybenzamide?
The canonical SMILES for N-(3-hydrazinyl-3-oxo-1-phenylpropyl)-2-methoxybenzamide is COc1ccccc1C(=O)NC(CC(=O)NN)c1ccccc1.
What is the InChIKey of N-(3-hydrazinyl-3-oxo-1-phenylpropyl)-2-methoxybenzamide?
The InChIKey is JYXCAYQYIYWELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-23-15-10-6-5-9-13(15)17(22)19-14(11-16(21)20-18)12-7-3-2-4-8-12/h2-10,14H,11,18H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(3-hydrazinyl-3-oxo-1-phenylpropyl)-2-methoxybenzamide?
N-(3-hydrazinyl-3-oxo-1-phenylpropyl)-2-methoxybenzamide has a molecular weight of 313.36 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydrazinyl-3-oxo-1-phenylpropyl)-2-methoxybenzamide is sourced from PubChem (CID 3102871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).