N'-butyl-N'-(4-cyanonaphthalen-1-yl)-N-methyl-2-phenoxybutanehydrazide

C26H29N3O2 — CID 71020819

IUPACN'-butyl-N'-(4-cyanonaphthalen-1-yl)-N-methyl-2-phenoxybutanehydrazide
SMILESCCCCN(c1ccc(C#N)c2ccccc12)N(C)C(=O)C(CC)Oc1ccccc1
InChIInChI=1S/C26H29N3O2/c1-4-6-18-29(24-17-16-20(19-27)22-14-10-11-15-23(22)24)28(3)26(30)25(5-2)31-21-12-8-7-9-13-21/h7-17,25H,4-6,18H2,1-3H3
InChIKeySXKBATQOFBOKPU-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.55
Rot. Bonds9

About N'-butyl-N'-(4-cyanonaphthalen-1-yl)-N-methyl-2-phenoxybutanehydrazide

N'-butyl-N'-(4-cyanonaphthalen-1-yl)-N-methyl-2-phenoxybutanehydrazide (PubChem CID 71020819) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N'-butyl-N'-(4-cyanonaphthalen-1-yl)-N-methyl-2-phenoxybutanehydrazide.

Molecular Properties

Compound NameN'-butyl-N'-(4-cyanonaphthalen-1-yl)-N-methyl-2-phenoxybutanehydrazide
PubChem CID71020819
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN'-butyl-N'-(4-cyanonaphthalen-1-yl)-N-methyl-2-phenoxybutanehydrazide
SMILESCCCCN(c1ccc(C#N)c2ccccc12)N(C)C(=O)C(CC)Oc1ccccc1
InChIInChI=1S/C26H29N3O2/c1-4-6-18-29(24-17-16-20(19-27)22-14-10-11-15-23(22)24)28(3)26(30)25(5-2)31-21-12-8-7-9-13-21/h7-17,25H,4-6,18H2,1-3H3
InChIKeySXKBATQOFBOKPU-UHFFFAOYSA-N
XLogP5.55
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-(4-cyanonaphthalen-1-yl)-N-methyl-2-phenoxybutanehydrazide?
The IUPAC name of N'-butyl-N'-(4-cyanonaphthalen-1-yl)-N-methyl-2-phenoxybutanehydrazide (CID 71020819) is N'-butyl-N'-(4-cyanonaphthalen-1-yl)-N-methyl-2-phenoxybutanehydrazide.
What is the SMILES notation for N'-butyl-N'-(4-cyanonaphthalen-1-yl)-N-methyl-2-phenoxybutanehydrazide?
The canonical SMILES for N'-butyl-N'-(4-cyanonaphthalen-1-yl)-N-methyl-2-phenoxybutanehydrazide is CCCCN(c1ccc(C#N)c2ccccc12)N(C)C(=O)C(CC)Oc1ccccc1.
What is the InChIKey of N'-butyl-N'-(4-cyanonaphthalen-1-yl)-N-methyl-2-phenoxybutanehydrazide?
The InChIKey is SXKBATQOFBOKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-4-6-18-29(24-17-16-20(19-27)22-14-10-11-15-23(22)24)28(3)26(30)25(5-2)31-21-12-8-7-9-13-21/h7-17,25H,4-6,18H2,1-3H3.
What are the key properties of N'-butyl-N'-(4-cyanonaphthalen-1-yl)-N-methyl-2-phenoxybutanehydrazide?
N'-butyl-N'-(4-cyanonaphthalen-1-yl)-N-methyl-2-phenoxybutanehydrazide has a molecular weight of 415.54 g/mol, XLogP of 5.55, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-(4-cyanonaphthalen-1-yl)-N-methyl-2-phenoxybutanehydrazide is sourced from PubChem (CID 71020819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).