(2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide

C16H22N2O5 — CID 912755

IUPAC(2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1OCC
InChIInChI=1S/C16H22N2O5/c1-3-21-12-8-7-11(10-14(12)22-4-2)15(19)17-18-16(20)13-6-5-9-23-13/h7-8,10,13H,3-6,9H2,1-2H3,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyGNEXJVNNTRYJAY-ZDUSSCGKSA-N
MW322.36 g/mol
LogP1.42
Rot. Bonds6

About (2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide

(2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide (PubChem CID 912755) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is (2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide.

Molecular Properties

Compound Name(2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide
PubChem CID912755
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name(2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1OCC
InChIInChI=1S/C16H22N2O5/c1-3-21-12-8-7-11(10-14(12)22-4-2)15(19)17-18-16(20)13-6-5-9-23-13/h7-8,10,13H,3-6,9H2,1-2H3,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyGNEXJVNNTRYJAY-ZDUSSCGKSA-N
XLogP1.42
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(cyclohexanecarbonyl)-3,4-diethoxybenzohydrazide
CID 912683
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]oxolane-2-carbohydrazide
CID 43006948
N'-(4-ethylbenzoyl)oxolane-2-carbohydrazide
CID 47099547
N-[3-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]oxolane-2-carboxamide
CID 46642904
4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 4789040
(2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide
CID 40870131
4-ethoxy-N-[4-[(oxolane-2-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
CID 43002871
(2R)-N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 7406384
N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 3128422
(2S)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]oxolane-2-carboxamide
CID 93441465
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
1-ethyl-2-methyl-N'-[(2R)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide
CID 27165622

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide?
The IUPAC name of (2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide (CID 912755) is (2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide.
What is the SMILES notation for (2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide?
The canonical SMILES for (2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)[C@@H]2CCCO2)cc1OCC.
What is the InChIKey of (2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide?
The InChIKey is GNEXJVNNTRYJAY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-3-21-12-8-7-11(10-14(12)22-4-2)15(19)17-18-16(20)13-6-5-9-23-13/h7-8,10,13H,3-6,9H2,1-2H3,(H,17,19)(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide?
(2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide has a molecular weight of 322.36 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide is sourced from PubChem (CID 912755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).