N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methoxyphenoxy)acetohydrazide

C19H19N3O5 — CID 1120071

IUPACN'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methoxyphenoxy)acetohydrazide
SMILESCOc1cccc(OCC(=O)NN[C@@H]2CC(=O)N(c3ccccc3)C2=O)c1
InChIInChI=1S/C19H19N3O5/c1-26-14-8-5-9-15(10-14)27-12-17(23)21-20-16-11-18(24)22(19(16)25)13-6-3-2-4-7-13/h2-10,16,20H,11-12H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyALFJQZYGHVIPMU-MRXNPFEDSA-N
MW369.38 g/mol
LogP1.03
Rot. Bonds7

About N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methoxyphenoxy)acetohydrazide

N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methoxyphenoxy)acetohydrazide (PubChem CID 1120071) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methoxyphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methoxyphenoxy)acetohydrazide
PubChem CID1120071
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methoxyphenoxy)acetohydrazide
SMILESCOc1cccc(OCC(=O)NN[C@@H]2CC(=O)N(c3ccccc3)C2=O)c1
InChIInChI=1S/C19H19N3O5/c1-26-14-8-5-9-15(10-14)27-12-17(23)21-20-16-11-18(24)22(19(16)25)13-6-3-2-4-7-13/h2-10,16,20H,11-12H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyALFJQZYGHVIPMU-MRXNPFEDSA-N
XLogP1.03
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methylphenoxy)acetohydrazide
CID 1120118
N'-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenoxyacetohydrazide
CID 3940606
2-methoxy-N'-[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 7299451
N'-[1-(3-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]hexanehydrazide
CID 3839764
N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetohydrazide
CID 4077280
N'-[1-(3-chloro-4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-ethylphenoxy)acetohydrazide
CID 3938497
tert-butyl N-[[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]carbamate
CID 92542330
2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 1213098
4-[[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid
CID 8891417
N'-acetyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetohydrazide
CID 3830816
4-[3-(3-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 43827237
3,4-dimethoxy-N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 4896092

Frequently Asked Questions

What is the IUPAC name of N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methoxyphenoxy)acetohydrazide?
The IUPAC name of N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methoxyphenoxy)acetohydrazide (CID 1120071) is N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methoxyphenoxy)acetohydrazide.
What is the SMILES notation for N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methoxyphenoxy)acetohydrazide?
The canonical SMILES for N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methoxyphenoxy)acetohydrazide is COc1cccc(OCC(=O)NN[C@@H]2CC(=O)N(c3ccccc3)C2=O)c1.
What is the InChIKey of N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methoxyphenoxy)acetohydrazide?
The InChIKey is ALFJQZYGHVIPMU-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-26-14-8-5-9-15(10-14)27-12-17(23)21-20-16-11-18(24)22(19(16)25)13-6-3-2-4-7-13/h2-10,16,20H,11-12H2,1H3,(H,21,23)/t16-/m1/s1.
What are the key properties of N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methoxyphenoxy)acetohydrazide?
N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methoxyphenoxy)acetohydrazide has a molecular weight of 369.38 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-(3-methoxyphenoxy)acetohydrazide is sourced from PubChem (CID 1120071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).