4-butoxy-N'-[3-(4,7-dimethyl-2-oxochromen-3-yl)propanoyl]-3-methoxybenzohydrazide

C26H30N2O6 — CID 24531696

IUPAC4-butoxy-N'-[3-(4,7-dimethyl-2-oxochromen-3-yl)propanoyl]-3-methoxybenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)cc1OC
InChIInChI=1S/C26H30N2O6/c1-5-6-13-33-21-11-8-18(15-23(21)32-4)25(30)28-27-24(29)12-10-20-17(3)19-9-7-16(2)14-22(19)34-26(20)31/h7-9,11,14-15H,5-6,10,12-13H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyLURKBEXBYLRPMA-UHFFFAOYSA-N
MW466.53 g/mol
LogP3.99
Rot. Bonds9

About 4-butoxy-N'-[3-(4,7-dimethyl-2-oxochromen-3-yl)propanoyl]-3-methoxybenzohydrazide

4-butoxy-N'-[3-(4,7-dimethyl-2-oxochromen-3-yl)propanoyl]-3-methoxybenzohydrazide (PubChem CID 24531696) has the molecular formula C26H30N2O6 and a molecular weight of 466.53 g/mol. Its IUPAC name is 4-butoxy-N'-[3-(4,7-dimethyl-2-oxochromen-3-yl)propanoyl]-3-methoxybenzohydrazide.

Molecular Properties

Compound Name4-butoxy-N'-[3-(4,7-dimethyl-2-oxochromen-3-yl)propanoyl]-3-methoxybenzohydrazide
PubChem CID24531696
Molecular FormulaC26H30N2O6
Molecular Weight466.53 g/mol
Exact Mass466.21
IUPAC Name4-butoxy-N'-[3-(4,7-dimethyl-2-oxochromen-3-yl)propanoyl]-3-methoxybenzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)cc1OC
InChIInChI=1S/C26H30N2O6/c1-5-6-13-33-21-11-8-18(15-23(21)32-4)25(30)28-27-24(29)12-10-20-17(3)19-9-7-16(2)14-22(19)34-26(20)31/h7-9,11,14-15H,5-6,10,12-13H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyLURKBEXBYLRPMA-UHFFFAOYSA-N
XLogP3.99
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-3-methoxy-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]benzohydrazide
CID 30317919
N'-(4-butoxy-3-methoxybenzoyl)-2-hydroxy-4-methylbenzohydrazide
CID 31715670
N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide
CID 35781657
N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 26784336
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 18145814
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
4-butoxy-3-methoxy-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
CID 46437778
N-(2,4-dimethylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 51272005
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
CID 25442347
N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide
CID 25442733
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 51280681

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N'-[3-(4,7-dimethyl-2-oxochromen-3-yl)propanoyl]-3-methoxybenzohydrazide?
The IUPAC name of 4-butoxy-N'-[3-(4,7-dimethyl-2-oxochromen-3-yl)propanoyl]-3-methoxybenzohydrazide (CID 24531696) is 4-butoxy-N'-[3-(4,7-dimethyl-2-oxochromen-3-yl)propanoyl]-3-methoxybenzohydrazide.
What is the SMILES notation for 4-butoxy-N'-[3-(4,7-dimethyl-2-oxochromen-3-yl)propanoyl]-3-methoxybenzohydrazide?
The canonical SMILES for 4-butoxy-N'-[3-(4,7-dimethyl-2-oxochromen-3-yl)propanoyl]-3-methoxybenzohydrazide is CCCCOc1ccc(C(=O)NNC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)cc1OC.
What is the InChIKey of 4-butoxy-N'-[3-(4,7-dimethyl-2-oxochromen-3-yl)propanoyl]-3-methoxybenzohydrazide?
The InChIKey is LURKBEXBYLRPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O6/c1-5-6-13-33-21-11-8-18(15-23(21)32-4)25(30)28-27-24(29)12-10-20-17(3)19-9-7-16(2)14-22(19)34-26(20)31/h7-9,11,14-15H,5-6,10,12-13H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of 4-butoxy-N'-[3-(4,7-dimethyl-2-oxochromen-3-yl)propanoyl]-3-methoxybenzohydrazide?
4-butoxy-N'-[3-(4,7-dimethyl-2-oxochromen-3-yl)propanoyl]-3-methoxybenzohydrazide has a molecular weight of 466.53 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N'-[3-(4,7-dimethyl-2-oxochromen-3-yl)propanoyl]-3-methoxybenzohydrazide is sourced from PubChem (CID 24531696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).