N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide

C13H18N2O4 — CID 46656614

IUPACN'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(C)=O)ccc1OC(C)C
InChIInChI=1S/C13H18N2O4/c1-8(2)19-11-6-5-10(7-12(11)18-4)13(17)15-14-9(3)16/h5-8H,1-4H3,(H,14,16)(H,15,17)
InChIKeyYVNYLJGVTUDVLB-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.26
Rot. Bonds4

About N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide

N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide (PubChem CID 46656614) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound NameN'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
PubChem CID46656614
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(C)=O)ccc1OC(C)C
InChIInChI=1S/C13H18N2O4/c1-8(2)19-11-6-5-10(7-12(11)18-4)13(17)15-14-9(3)16/h5-8H,1-4H3,(H,14,16)(H,15,17)
InChIKeyYVNYLJGVTUDVLB-UHFFFAOYSA-N
XLogP1.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.26
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

3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 26655769
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 8621899
N'-[4-(difluoromethoxy)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655758
2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 7972045
N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 7972036
2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 26655741
N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide
CID 17489065
3-methoxy-N'-[3-(methylsulfanylmethyl)benzoyl]-4-propan-2-yloxybenzohydrazide
CID 9160771
N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-methylpyrazine-2-carbohydrazide
CID 18266699
3-methoxy-N'-[2-(2-methoxyphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4798027
4-ethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide
CID 9392138
3-methoxy-N'-[3-(2-methylpropoxy)benzoyl]-4-propan-2-yloxybenzohydrazide
CID 8621873

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide?
The IUPAC name of N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide (CID 46656614) is N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide.
What is the SMILES notation for N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide?
The canonical SMILES for N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide is COc1cc(C(=O)NNC(C)=O)ccc1OC(C)C.
What is the InChIKey of N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide?
The InChIKey is YVNYLJGVTUDVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(2)19-11-6-5-10(7-12(11)18-4)13(17)15-14-9(3)16/h5-8H,1-4H3,(H,14,16)(H,15,17).
What are the key properties of N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide?
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide has a molecular weight of 266.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 46656614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).