N-[2-[[1-(3-cyclopropyl-2-methylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]formamide;1,1-dimethylhydrazine

C23H32N4O2 — CID 144635472

IUPACN-[2-[[1-(3-cyclopropyl-2-methylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]formamide;1,1-dimethylhydrazine
SMILESCC(=NOCc1c(C)cccc1NC=O)c1cccc(C2CC2)c1C.CN(C)N
InChIInChI=1S/C21H24N2O2.C2H8N2/c1-14-6-4-9-21(22-13-24)20(14)12-25-23-16(3)18-7-5-8-19(15(18)2)17-10-11-17;1-4(2)3/h4-9,13,17H,10-12H2,1-3H3,(H,22,24);3H2,1-2H3
InChIKeyBCZBSHDKCSRXKN-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.11
Rot. Bonds7

About N-[2-[[1-(3-cyclopropyl-2-methylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]formamide;1,1-dimethylhydrazine

N-[2-[[1-(3-cyclopropyl-2-methylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]formamide;1,1-dimethylhydrazine (PubChem CID 144635472) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[2-[[1-(3-cyclopropyl-2-methylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]formamide;1,1-dimethylhydrazine.

Molecular Properties

Compound NameN-[2-[[1-(3-cyclopropyl-2-methylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]formamide;1,1-dimethylhydrazine
PubChem CID144635472
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-[2-[[1-(3-cyclopropyl-2-methylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]formamide;1,1-dimethylhydrazine
SMILESCC(=NOCc1c(C)cccc1NC=O)c1cccc(C2CC2)c1C.CN(C)N
InChIInChI=1S/C21H24N2O2.C2H8N2/c1-14-6-4-9-21(22-13-24)20(14)12-25-23-16(3)18-7-5-8-19(15(18)2)17-10-11-17;1-4(2)3/h4-9,13,17H,10-12H2,1-3H3,(H,22,24);3H2,1-2H3
InChIKeyBCZBSHDKCSRXKN-UHFFFAOYSA-N
XLogP4.11
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-[[1-(3-cyclopropyl-2-methylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]formamide;1,1-dimethylhydrazine?
The IUPAC name of N-[2-[[1-(3-cyclopropyl-2-methylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]formamide;1,1-dimethylhydrazine (CID 144635472) is N-[2-[[1-(3-cyclopropyl-2-methylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]formamide;1,1-dimethylhydrazine.
What is the SMILES notation for N-[2-[[1-(3-cyclopropyl-2-methylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]formamide;1,1-dimethylhydrazine?
The canonical SMILES for N-[2-[[1-(3-cyclopropyl-2-methylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]formamide;1,1-dimethylhydrazine is CC(=NOCc1c(C)cccc1NC=O)c1cccc(C2CC2)c1C.CN(C)N.
What is the InChIKey of N-[2-[[1-(3-cyclopropyl-2-methylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]formamide;1,1-dimethylhydrazine?
The InChIKey is BCZBSHDKCSRXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2.C2H8N2/c1-14-6-4-9-21(22-13-24)20(14)12-25-23-16(3)18-7-5-8-19(15(18)2)17-10-11-17;1-4(2)3/h4-9,13,17H,10-12H2,1-3H3,(H,22,24);3H2,1-2H3.
What are the key properties of N-[2-[[1-(3-cyclopropyl-2-methylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]formamide;1,1-dimethylhydrazine?
N-[2-[[1-(3-cyclopropyl-2-methylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]formamide;1,1-dimethylhydrazine has a molecular weight of 396.54 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(3-cyclopropyl-2-methylphenyl)ethylideneamino]oxymethyl]-3-methylphenyl]formamide;1,1-dimethylhydrazine is sourced from PubChem (CID 144635472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).