N-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide

C24H31N3O4 — CID 29264757

IUPACN-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)CCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H31N3O4/c1-2-3-4-8-18-31-21-15-13-20(14-16-21)24(30)27-26-22(28)12-9-17-25-23(29)19-10-6-5-7-11-19/h5-7,10-11,13-16H,2-4,8-9,12,17-18H2,1H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyJKMPKVSYVFHSTC-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.62
Rot. Bonds12

About N-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide

N-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide (PubChem CID 29264757) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
PubChem CID29264757
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)CCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H31N3O4/c1-2-3-4-8-18-31-21-15-13-20(14-16-21)24(30)27-26-22(28)12-9-17-25-23(29)19-10-6-5-7-11-19/h5-7,10-11,13-16H,2-4,8-9,12,17-18H2,1H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyJKMPKVSYVFHSTC-UHFFFAOYSA-N
XLogP3.62
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
CID 39756465
N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 27672476
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 46423810
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
4-butoxy-N-hexadecylbenzamide
CID 4936106
N'-butanoyl-4-butoxybenzohydrazide
CID 17340318
N'-octanoylbenzohydrazide
CID 4227469
N'-nonanoylbenzohydrazide
CID 5163159
N'-heptanoylbenzohydrazide
CID 4218130
N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide
CID 17340326

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide (CID 29264757) is N-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide is CCCCCCOc1ccc(C(=O)NNC(=O)CCCNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide?
The InChIKey is JKMPKVSYVFHSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-2-3-4-8-18-31-21-15-13-20(14-16-21)24(30)27-26-22(28)12-9-17-25-23(29)19-10-6-5-7-11-19/h5-7,10-11,13-16H,2-4,8-9,12,17-18H2,1H3,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of N-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide?
N-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide has a molecular weight of 425.53 g/mol, XLogP of 3.62, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide is sourced from PubChem (CID 29264757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).