N'-[2-(3-methylphenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide

C21H23N3O4 — CID 55377578

IUPACN'-[2-(3-methylphenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)c2ccc(CN3CCCC3=O)cc2)c1
InChIInChI=1S/C21H23N3O4/c1-15-4-2-5-18(12-15)28-14-19(25)22-23-21(27)17-9-7-16(8-10-17)13-24-11-3-6-20(24)26/h2,4-5,7-10,12H,3,6,11,13-14H2,1H3,(H,22,25)(H,23,27)
InChIKeyKVBQDYJKMGWLKX-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.96
Rot. Bonds6

About N'-[2-(3-methylphenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide

N'-[2-(3-methylphenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide (PubChem CID 55377578) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N'-[2-(3-methylphenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-methylphenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
PubChem CID55377578
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN'-[2-(3-methylphenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)c2ccc(CN3CCCC3=O)cc2)c1
InChIInChI=1S/C21H23N3O4/c1-15-4-2-5-18(12-15)28-14-19(25)22-23-21(27)17-9-7-16(8-10-17)13-24-11-3-6-20(24)26/h2,4-5,7-10,12H,3,6,11,13-14H2,1H3,(H,22,25)(H,23,27)
InChIKeyKVBQDYJKMGWLKX-UHFFFAOYSA-N
XLogP1.96
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 30707777
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
N'-[2-(4-chlorophenyl)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 30755522
N'-[2-(3-methylphenoxy)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
CID 55489256
4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 7601018
N-(3-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide
CID 55380712
1-[[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 32759097
N'-[2-(3-methylphenoxy)acetyl]furan-3-carbohydrazide
CID 51264727
2-(3-methylphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687320
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide
CID 47013997
2-(3-methylphenoxy)-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide
CID 8979018
N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methylphenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide?
The IUPAC name of N'-[2-(3-methylphenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide (CID 55377578) is N'-[2-(3-methylphenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide.
What is the SMILES notation for N'-[2-(3-methylphenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide?
The canonical SMILES for N'-[2-(3-methylphenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide is Cc1cccc(OCC(=O)NNC(=O)c2ccc(CN3CCCC3=O)cc2)c1.
What is the InChIKey of N'-[2-(3-methylphenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide?
The InChIKey is KVBQDYJKMGWLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-15-4-2-5-18(12-15)28-14-19(25)22-23-21(27)17-9-7-16(8-10-17)13-24-11-3-6-20(24)26/h2,4-5,7-10,12H,3,6,11,13-14H2,1H3,(H,22,25)(H,23,27).
What are the key properties of N'-[2-(3-methylphenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide?
N'-[2-(3-methylphenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide has a molecular weight of 381.43 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methylphenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 55377578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).