N'-[4-(oxolan-2-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide

C17H19N3O4 — CID 78814237

IUPACN'-[4-(oxolan-2-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc[nH]1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C17H19N3O4/c21-16(19-20-17(22)15-4-1-9-18-15)12-5-7-13(8-6-12)24-11-14-3-2-10-23-14/h1,4-9,14,18H,2-3,10-11H2,(H,19,21)(H,20,22)
InChIKeyLRZANFVWYJXKIL-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.65
Rot. Bonds5

About N'-[4-(oxolan-2-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide

N'-[4-(oxolan-2-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 78814237) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N'-[4-(oxolan-2-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(oxolan-2-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide
PubChem CID78814237
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN'-[4-(oxolan-2-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc[nH]1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C17H19N3O4/c21-16(19-20-17(22)15-4-1-9-18-15)12-5-7-13(8-6-12)24-11-14-3-2-10-23-14/h1,4-9,14,18H,2-3,10-11H2,(H,19,21)(H,20,22)
InChIKeyLRZANFVWYJXKIL-UHFFFAOYSA-N
XLogP1.65
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.65
H-Bond Donors ≤ 53
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'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17222468
2-hydroxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 43016979
2-chloro-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 17222475
3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide
CID 2108807
N'-[2-(1H-indol-3-yl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 102603532
N'-(2-naphthalen-2-yloxyacetyl)-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 17222481
N-cycloheptyl-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2125237
N'-[2-(4-methoxyphenyl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 17222482
2-oxo-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1H-pyridine-3-carboxamide
CID 51949056
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 51153011
N-cyclopentyl-2-[[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzamide
CID 31287648

Frequently Asked Questions

What is the IUPAC name of N'-[4-(oxolan-2-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-[4-(oxolan-2-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide (CID 78814237) is N'-[4-(oxolan-2-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-[4-(oxolan-2-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-[4-(oxolan-2-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide is O=C(NNC(=O)c1ccc[nH]1)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N'-[4-(oxolan-2-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is LRZANFVWYJXKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c21-16(19-20-17(22)15-4-1-9-18-15)12-5-7-13(8-6-12)24-11-14-3-2-10-23-14/h1,4-9,14,18H,2-3,10-11H2,(H,19,21)(H,20,22).
What are the key properties of N'-[4-(oxolan-2-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide?
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 329.36 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(oxolan-2-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 78814237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).