(NE)-N-[(1Z)-1-hydroxyimino-1-(2-phenylmethoxynaphthalen-1-yl)propan-2-ylidene]hydroxylamine

C20H18N2O3 — CID 172985704

IUPAC(NE)-N-[(1Z)-1-hydroxyimino-1-(2-phenylmethoxynaphthalen-1-yl)propan-2-ylidene]hydroxylamine
SMILESCC(=N\O)/C(=N\O)c1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C20H18N2O3/c1-14(21-23)20(22-24)19-17-10-6-5-9-16(17)11-12-18(19)25-13-15-7-3-2-4-8-15/h2-12,23-24H,13H2,1H3/b21-14+,22-20+
InChIKeyUQLSOGQJNPMCIR-KTYUDDGUSA-N
MW334.38 g/mol
LogP4.45
Rot. Bonds5

About (NE)-N-[(1Z)-1-hydroxyimino-1-(2-phenylmethoxynaphthalen-1-yl)propan-2-ylidene]hydroxylamine

(NE)-N-[(1Z)-1-hydroxyimino-1-(2-phenylmethoxynaphthalen-1-yl)propan-2-ylidene]hydroxylamine (PubChem CID 172985704) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is (NE)-N-[(1Z)-1-hydroxyimino-1-(2-phenylmethoxynaphthalen-1-yl)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1Z)-1-hydroxyimino-1-(2-phenylmethoxynaphthalen-1-yl)propan-2-ylidene]hydroxylamine
PubChem CID172985704
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name(NE)-N-[(1Z)-1-hydroxyimino-1-(2-phenylmethoxynaphthalen-1-yl)propan-2-ylidene]hydroxylamine
SMILESCC(=N\O)/C(=N\O)c1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C20H18N2O3/c1-14(21-23)20(22-24)19-17-10-6-5-9-16(17)11-12-18(19)25-13-15-7-3-2-4-8-15/h2-12,23-24H,13H2,1H3/b21-14+,22-20+
InChIKeyUQLSOGQJNPMCIR-KTYUDDGUSA-N
XLogP4.45
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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

1,2-bis(phenylmethoxy)naphthalene
CID 67710722
N-[(2-phenylmethoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 807879
(Z)-3-phenyl-1-(2-phenylmethoxynaphthalen-1-yl)prop-2-en-1-one
CID 92908965
(2-phenylmethoxynaphthalen-1-yl)-(3-phenyloxiran-2-yl)methanone
CID 2781017
1-(2-phenylmethoxynaphthalen-1-yl)propan-1-ol
CID 163598537
tert-butyl 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxynaphthalene-1-carbonyl)benzoate
CID 10886822
methyl 1-phenylmethoxybenzo[g]phenanthrene-4-carboxylate
CID 11090467
dimethyl-[1-(2-phenylmethoxynaphthalen-1-yl)naphthalen-2-yl]oxygallane
CID 16689049
(1-hydroxy-2-methylpropan-2-yl)-[(2-phenylmethoxynaphthalen-1-yl)methyl]azanium chloride
CID 44665847
2-(2-phenylmethoxynaphthalen-1-yl)ethanamine
CID 60905443
methyl (2S)-1-(2-phenylmethoxynaphthalene-1-carbonyl)pyrrolidine-2-carboxylate
CID 102295273
(1-phenylmethoxynaphthalen-2-yl)boronic acid
CID 10755032

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(1Z)-1-hydroxyimino-1-(2-phenylmethoxynaphthalen-1-yl)propan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1Z)-1-hydroxyimino-1-(2-phenylmethoxynaphthalen-1-yl)propan-2-ylidene]hydroxylamine (CID 172985704) is (NE)-N-[(1Z)-1-hydroxyimino-1-(2-phenylmethoxynaphthalen-1-yl)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1Z)-1-hydroxyimino-1-(2-phenylmethoxynaphthalen-1-yl)propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1Z)-1-hydroxyimino-1-(2-phenylmethoxynaphthalen-1-yl)propan-2-ylidene]hydroxylamine is CC(=N\O)/C(=N\O)c1c(OCc2ccccc2)ccc2ccccc12.
What is the InChIKey of (NE)-N-[(1Z)-1-hydroxyimino-1-(2-phenylmethoxynaphthalen-1-yl)propan-2-ylidene]hydroxylamine?
The InChIKey is UQLSOGQJNPMCIR-KTYUDDGUSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-14(21-23)20(22-24)19-17-10-6-5-9-16(17)11-12-18(19)25-13-15-7-3-2-4-8-15/h2-12,23-24H,13H2,1H3/b21-14+,22-20+.
What are the key properties of (NE)-N-[(1Z)-1-hydroxyimino-1-(2-phenylmethoxynaphthalen-1-yl)propan-2-ylidene]hydroxylamine?
(NE)-N-[(1Z)-1-hydroxyimino-1-(2-phenylmethoxynaphthalen-1-yl)propan-2-ylidene]hydroxylamine has a molecular weight of 334.38 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1Z)-1-hydroxyimino-1-(2-phenylmethoxynaphthalen-1-yl)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 172985704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).