N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]oxolane-2-carbohydrazide

C18H26N2O5 — CID 43006948

IUPACN'-[3-methoxy-4-(3-methylbutoxy)benzoyl]oxolane-2-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)C2CCCO2)ccc1OCCC(C)C
InChIInChI=1S/C18H26N2O5/c1-12(2)8-10-25-14-7-6-13(11-16(14)23-3)17(21)19-20-18(22)15-5-4-9-24-15/h6-7,11-12,15H,4-5,8-10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyYAJXYHDTKHEVCD-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.06
Rot. Bonds7

About N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]oxolane-2-carbohydrazide

N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]oxolane-2-carbohydrazide (PubChem CID 43006948) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-methoxy-4-(3-methylbutoxy)benzoyl]oxolane-2-carbohydrazide
PubChem CID43006948
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC NameN'-[3-methoxy-4-(3-methylbutoxy)benzoyl]oxolane-2-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)C2CCCO2)ccc1OCCC(C)C
InChIInChI=1S/C18H26N2O5/c1-12(2)8-10-25-14-7-6-13(11-16(14)23-3)17(21)19-20-18(22)15-5-4-9-24-15/h6-7,11-12,15H,4-5,8-10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyYAJXYHDTKHEVCD-UHFFFAOYSA-N
XLogP2.06
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.06
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

(2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide
CID 912755
3-methoxy-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 25486360
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide
CID 24535877
N'-(4,4-dimethylpent-2-enoyl)-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 72689752
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-methylthiophene-2-carbohydrazide
CID 30882214
N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide
CID 51186820
(2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide
CID 748723
4-ethoxy-3-methoxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 4789040
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120505097
azocan-1-yl-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone
CID 112793153
3-methoxy-4-(3-methylbutoxy)-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide
CID 24553723
3-methoxy-4-(3-methylbutoxy)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]benzohydrazide
CID 24609588

Frequently Asked Questions

What is the IUPAC name of N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]oxolane-2-carbohydrazide?
The IUPAC name of N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]oxolane-2-carbohydrazide (CID 43006948) is N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]oxolane-2-carbohydrazide.
What is the SMILES notation for N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]oxolane-2-carbohydrazide?
The canonical SMILES for N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]oxolane-2-carbohydrazide is COc1cc(C(=O)NNC(=O)C2CCCO2)ccc1OCCC(C)C.
What is the InChIKey of N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]oxolane-2-carbohydrazide?
The InChIKey is YAJXYHDTKHEVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-12(2)8-10-25-14-7-6-13(11-16(14)23-3)17(21)19-20-18(22)15-5-4-9-24-15/h6-7,11-12,15H,4-5,8-10H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]oxolane-2-carbohydrazide?
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]oxolane-2-carbohydrazide has a molecular weight of 350.42 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 43006948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).