N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-propan-2-yloxybenzohydrazide

C17H21N3O5 — CID 18279573

IUPACN'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-propan-2-yloxybenzohydrazide
SMILESCC(C)Oc1ccc(C(=O)NNC(=O)CCN2C(=O)CCC2=O)cc1
InChIInChI=1S/C17H21N3O5/c1-11(2)25-13-5-3-12(4-6-13)17(24)19-18-14(21)9-10-20-15(22)7-8-16(20)23/h3-6,11H,7-10H2,1-2H3,(H,18,21)(H,19,24)
InChIKeyUACNBQALSCEVLG-UHFFFAOYSA-N
MW347.37 g/mol
LogP0.77
Rot. Bonds6

About N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-propan-2-yloxybenzohydrazide

N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-propan-2-yloxybenzohydrazide (PubChem CID 18279573) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound NameN'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-propan-2-yloxybenzohydrazide
PubChem CID18279573
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC NameN'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-propan-2-yloxybenzohydrazide
SMILESCC(C)Oc1ccc(C(=O)NNC(=O)CCN2C(=O)CCC2=O)cc1
InChIInChI=1S/C17H21N3O5/c1-11(2)25-13-5-3-12(4-6-13)17(24)19-18-14(21)9-10-20-15(22)7-8-16(20)23/h3-6,11H,7-10H2,1-2H3,(H,18,21)(H,19,24)
InChIKeyUACNBQALSCEVLG-UHFFFAOYSA-N
XLogP0.77
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-butanoyl-4-propan-2-yloxybenzohydrazide
CID 17340325
N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide
CID 4789042
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propan-2-yloxybenzamide
CID 16926732
N'-[3-(2-hydroxyphenyl)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 17496431
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275
N-[2-oxo-2-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]ethyl]benzamide
CID 43002548
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide
CID 16927194
(2R)-2-(3-bromophenoxy)-N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]propanehydrazide
CID 9154984
N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide
CID 959964
N-[(butanoylamino)carbamothioyl]-4-propan-2-yloxybenzamide
CID 17340176
N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-ethoxybenzohydrazide
CID 8915094
N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 4952150

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-propan-2-yloxybenzohydrazide?
The IUPAC name of N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-propan-2-yloxybenzohydrazide (CID 18279573) is N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-propan-2-yloxybenzohydrazide.
What is the SMILES notation for N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-propan-2-yloxybenzohydrazide?
The canonical SMILES for N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-propan-2-yloxybenzohydrazide is CC(C)Oc1ccc(C(=O)NNC(=O)CCN2C(=O)CCC2=O)cc1.
What is the InChIKey of N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-propan-2-yloxybenzohydrazide?
The InChIKey is UACNBQALSCEVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-11(2)25-13-5-3-12(4-6-13)17(24)19-18-14(21)9-10-20-15(22)7-8-16(20)23/h3-6,11H,7-10H2,1-2H3,(H,18,21)(H,19,24).
What are the key properties of N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-propan-2-yloxybenzohydrazide?
N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-propan-2-yloxybenzohydrazide has a molecular weight of 347.37 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 18279573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).