(NZ)-N-[1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phenyl]ethylidene]hydroxylamine

C18H19NO3 — CID 134869901

IUPAC(NZ)-N-[1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phenyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccccc1-c1ccccc1C1(C)OCCO1
InChIInChI=1S/C18H19NO3/c1-13(19-20)14-7-3-4-8-15(14)16-9-5-6-10-17(16)18(2)21-11-12-22-18/h3-10,20H,11-12H2,1-2H3/b19-13-
InChIKeyILMBMWSQVBHMLO-UYRXBGFRSA-N
MW297.35 g/mol
LogP3.77
Rot. Bonds3

About (NZ)-N-[1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phenyl]ethylidene]hydroxylamine

(NZ)-N-[1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phenyl]ethylidene]hydroxylamine (PubChem CID 134869901) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (NZ)-N-[1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phenyl]ethylidene]hydroxylamine
PubChem CID134869901
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(NZ)-N-[1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phenyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccccc1-c1ccccc1C1(C)OCCO1
InChIInChI=1S/C18H19NO3/c1-13(19-20)14-7-3-4-8-15(14)16-9-5-6-10-17(16)18(2)21-11-12-22-18/h3-10,20H,11-12H2,1-2H3/b19-13-
InChIKeyILMBMWSQVBHMLO-UYRXBGFRSA-N
XLogP3.77
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Phenyl-2-(O-tolyl)-1,3-dioxolane
CID 3492377
6-[(2,6-Difluorophenyl)methoxymethyl]-6-ethyl-3-phenyl-4,5-dihydrooxazine
CID 67918482
5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(4-methylphenyl)-4H-1,2-oxazole
CID 89491853
5-{[(2,6-Difluorobenzyl)oxy]methyl}-5-methyl-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazole
CID 89491854
5-((2,6-Difluorobenzyloxy)methyl)-5-methyl-3-(2-(trifluoromethyl)phenyl)-4,5-dihydroisoxazole
CID 89491855
5-((2,6-Difluorobenzyloxy)methyl)-3-(2-fluorophenyl)-5-methyl-4,5-dihydroisoxazole
CID 89491867
5-[(2-fluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4H-1,2-oxazole
CID 89491877
5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(3-methylphenyl)-4H-1,2-oxazole
CID 89491886
4-[3-[(E)-C-methyl-N-[[2-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]-3-propan-2-yloxybut-1-en-2-ol
CID 142193217
N-[3-[2-(1,3-dioxolan-2-yl)-3-fluorophenyl]phenoxy]propan-2-imine
CID 174160894
4-[(2,6-Difluorophenyl)methoxymethyl]-5-methyl-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazole
CID 174723614
2-[2-[2-(1,3-dioxolan-2-yl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 10381532

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phenyl]ethylidene]hydroxylamine (CID 134869901) is (NZ)-N-[1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phenyl]ethylidene]hydroxylamine is C/C(=N/O)c1ccccc1-c1ccccc1C1(C)OCCO1.
What is the InChIKey of (NZ)-N-[1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phenyl]ethylidene]hydroxylamine?
The InChIKey is ILMBMWSQVBHMLO-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13(19-20)14-7-3-4-8-15(14)16-9-5-6-10-17(16)18(2)21-11-12-22-18/h3-10,20H,11-12H2,1-2H3/b19-13-.
What are the key properties of (NZ)-N-[1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phenyl]ethylidene]hydroxylamine?
(NZ)-N-[1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phenyl]ethylidene]hydroxylamine has a molecular weight of 297.35 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 134869901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).