N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide

C16H18N2O5 — CID 17489065

IUPACN'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccco2)ccc1OC(C)C
InChIInChI=1S/C16H18N2O5/c1-10(2)23-12-7-6-11(9-14(12)21-3)15(19)17-18-16(20)13-5-4-8-22-13/h4-10H,1-3H3,(H,17,19)(H,18,20)
InChIKeyMNQAMNUOBLXRJH-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.15
Rot. Bonds5

About N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide

N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide (PubChem CID 17489065) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide
PubChem CID17489065
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC NameN'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccco2)ccc1OC(C)C
InChIInChI=1S/C16H18N2O5/c1-10(2)23-12-7-6-11(9-14(12)21-3)15(19)17-18-16(20)13-5-4-8-22-13/h4-10H,1-3H3,(H,17,19)(H,18,20)
InChIKeyMNQAMNUOBLXRJH-UHFFFAOYSA-N
XLogP2.15
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.15
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-[(2S)-1-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9160701
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 26655769
3-methoxy-N'-[3-(methylsulfanylmethyl)benzoyl]-4-propan-2-yloxybenzohydrazide
CID 9160771
3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide
CID 7972010
3-methoxy-N'-[2-(2-methoxyphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4798027
N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 7972036
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 8621899
N-[(2S)-1-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 24553444
3-methoxy-N'-[2-(2-methylphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 8621917
N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]furan-2-carbohydrazide
CID 9476382
N'-[4-(difluoromethoxy)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655758

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide?
The IUPAC name of N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide (CID 17489065) is N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide is COc1cc(C(=O)NNC(=O)c2ccco2)ccc1OC(C)C.
What is the InChIKey of N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide?
The InChIKey is MNQAMNUOBLXRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-10(2)23-12-7-6-11(9-14(12)21-3)15(19)17-18-16(20)13-5-4-8-22-13/h4-10H,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide?
N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide has a molecular weight of 318.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide is sourced from PubChem (CID 17489065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).