N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide

C27H30N2O4 — CID 4956685

IUPACN'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide
SMILESCC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)cc2)cc1
InChIInChI=1S/C27H30N2O4/c1-20(2)16-18-32-24-12-8-22(9-13-24)26(30)28-29-27(31)23-10-14-25(15-11-23)33-19-17-21-6-4-3-5-7-21/h3-15,20H,16-19H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyORGBGFCKIHAPEV-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.81
Rot. Bonds10

About N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide

N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide (PubChem CID 4956685) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide
PubChem CID4956685
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC NameN'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide
SMILESCC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)cc2)cc1
InChIInChI=1S/C27H30N2O4/c1-20(2)16-18-32-24-12-8-22(9-13-24)26(30)28-29-27(31)23-10-14-25(15-11-23)33-19-17-21-6-4-3-5-7-21/h3-15,20H,16-19H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyORGBGFCKIHAPEV-UHFFFAOYSA-N
XLogP4.81
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.81
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

N'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134546
5-bromo-N'-[4-(3-methylbutoxy)benzoyl]-2-(2-phenylethoxy)benzohydrazide
CID 17046444
N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 4927856
N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide
CID 4956611
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 27693938
N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177576
2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4927887
N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953226
N'-[2-(4-methoxyphenoxy)acetyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956591
2-chloro-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide
CID 4956612
4-(2-phenylethoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
CID 4956671

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide?
The IUPAC name of N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide (CID 4956685) is N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide.
What is the SMILES notation for N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide?
The canonical SMILES for N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide is CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(OCCc3ccccc3)cc2)cc1.
What is the InChIKey of N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide?
The InChIKey is ORGBGFCKIHAPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-20(2)16-18-32-24-12-8-22(9-13-24)26(30)28-29-27(31)23-10-14-25(15-11-23)33-19-17-21-6-4-3-5-7-21/h3-15,20H,16-19H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide?
N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide has a molecular weight of 446.55 g/mol, XLogP of 4.81, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide is sourced from PubChem (CID 4956685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).