N-[2-[3-ethyl-2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]oxymethyl]phenyl]iminohydrazinyl]-N-methylformamide

C23H29N5O2 — CID 118459390

IUPACN-[2-[3-ethyl-2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]oxymethyl]phenyl]iminohydrazinyl]-N-methylformamide
SMILESCCc1cccc(/N=N/NN(C)C=O)c1CON=C(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H29N5O2/c1-4-18-10-7-11-23(24-26-27-28(3)16-29)22(18)15-30-25-17(2)20-13-12-19-8-5-6-9-21(19)14-20/h7,10-14,16H,4-6,8-9,15H2,1-3H3,(H,24,27)
InChIKeyHPBLMZMIMKJNHR-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.66
Rot. Bonds9

About N-[2-[3-ethyl-2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]oxymethyl]phenyl]iminohydrazinyl]-N-methylformamide

N-[2-[3-ethyl-2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]oxymethyl]phenyl]iminohydrazinyl]-N-methylformamide (PubChem CID 118459390) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[2-[3-ethyl-2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]oxymethyl]phenyl]iminohydrazinyl]-N-methylformamide.

Molecular Properties

Compound NameN-[2-[3-ethyl-2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]oxymethyl]phenyl]iminohydrazinyl]-N-methylformamide
PubChem CID118459390
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[2-[3-ethyl-2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]oxymethyl]phenyl]iminohydrazinyl]-N-methylformamide
SMILESCCc1cccc(/N=N/NN(C)C=O)c1CON=C(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H29N5O2/c1-4-18-10-7-11-23(24-26-27-28(3)16-29)22(18)15-30-25-17(2)20-13-12-19-8-5-6-9-21(19)14-20/h7,10-14,16H,4-6,8-9,15H2,1-3H3,(H,24,27)
InChIKeyHPBLMZMIMKJNHR-UHFFFAOYSA-N
XLogP4.66
TPSA78.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-ethyl-2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]oxymethyl]phenyl]iminohydrazinyl]-N-methylformamide?
The IUPAC name of N-[2-[3-ethyl-2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]oxymethyl]phenyl]iminohydrazinyl]-N-methylformamide (CID 118459390) is N-[2-[3-ethyl-2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]oxymethyl]phenyl]iminohydrazinyl]-N-methylformamide.
What is the SMILES notation for N-[2-[3-ethyl-2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]oxymethyl]phenyl]iminohydrazinyl]-N-methylformamide?
The canonical SMILES for N-[2-[3-ethyl-2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]oxymethyl]phenyl]iminohydrazinyl]-N-methylformamide is CCc1cccc(/N=N/NN(C)C=O)c1CON=C(C)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-[3-ethyl-2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]oxymethyl]phenyl]iminohydrazinyl]-N-methylformamide?
The InChIKey is HPBLMZMIMKJNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-4-18-10-7-11-23(24-26-27-28(3)16-29)22(18)15-30-25-17(2)20-13-12-19-8-5-6-9-21(19)14-20/h7,10-14,16H,4-6,8-9,15H2,1-3H3,(H,24,27).
What are the key properties of N-[2-[3-ethyl-2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]oxymethyl]phenyl]iminohydrazinyl]-N-methylformamide?
N-[2-[3-ethyl-2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]oxymethyl]phenyl]iminohydrazinyl]-N-methylformamide has a molecular weight of 407.52 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-ethyl-2-[[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]oxymethyl]phenyl]iminohydrazinyl]-N-methylformamide is sourced from PubChem (CID 118459390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).