(NE)-N-[1-phenyl-3-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butylidene]hydroxylamine

C18H21N3O — CID 10469787

IUPAC(NE)-N-[1-phenyl-3-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butylidene]hydroxylamine
SMILESC/C(=N/NC(C)C/C(=N\O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N3O/c1-14(13-18(21-22)17-11-7-4-8-12-17)19-20-15(2)16-9-5-3-6-10-16/h3-12,14,19,22H,13H2,1-2H3/b20-15-,21-18+
InChIKeyZTHJKNOVDDBVKR-HVJKCUCSSA-N
MW295.39 g/mol
LogP3.66
Rot. Bonds6

About (NE)-N-[1-phenyl-3-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butylidene]hydroxylamine

(NE)-N-[1-phenyl-3-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butylidene]hydroxylamine (PubChem CID 10469787) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (NE)-N-[1-phenyl-3-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-phenyl-3-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butylidene]hydroxylamine
PubChem CID10469787
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(NE)-N-[1-phenyl-3-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butylidene]hydroxylamine
SMILESC/C(=N/NC(C)C/C(=N\O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21N3O/c1-14(13-18(21-22)17-11-7-4-8-12-17)19-20-15(2)16-9-5-3-6-10-16/h3-12,14,19,22H,13H2,1-2H3/b20-15-,21-18+
InChIKeyZTHJKNOVDDBVKR-HVJKCUCSSA-N
XLogP3.66
TPSA56.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.66
H-Bond Donors ≤ 52
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

CID 134863341
CID 134863341
(NZ)-N-[(3E)-3-hydroxyimino-1,3-diphenylpropylidene]hydroxylamine
CID 6297502
(NZ)-N-[(5Z)-5-hydroxyimino-1,3,5-triphenylpentylidene]hydroxylamine
CID 74229627
acetic acid;2-hydroxyimino-2-phenylethanol
CID 57373390
(5E)-5-hydroxyimino-5-phenylpent-1-en-3-ol
CID 139841509
N-[(4Z)-4-hydroxyimino-4-phenylbutyl]acetamide
CID 121011594
copper;2-hydroxyimino-2-phenylethanol
CID 88811267
(NZ)-N-(2-chloro-1-phenylethylidene)hydroxylamine
CID 139192653
ethane;N-[(Z)-1-phenylethylideneamino]aniline
CID 91599108
1-(4-chlorophenyl)-3-hydroxyimino-3-phenylpropan-1-ol
CID 85437581
N-[(3Z)-3-hydroxyimino-3-phenylpropanethioyl]acetamide
CID 134868081
2-phenyl-1-[(E)-1-phenylethylideneamino]guanidine
CID 13451380

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-phenyl-3-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-phenyl-3-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butylidene]hydroxylamine (CID 10469787) is (NE)-N-[1-phenyl-3-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-phenyl-3-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-phenyl-3-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butylidene]hydroxylamine is C/C(=N/NC(C)C/C(=N\O)c1ccccc1)c1ccccc1.
What is the InChIKey of (NE)-N-[1-phenyl-3-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butylidene]hydroxylamine?
The InChIKey is ZTHJKNOVDDBVKR-HVJKCUCSSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14(13-18(21-22)17-11-7-4-8-12-17)19-20-15(2)16-9-5-3-6-10-16/h3-12,14,19,22H,13H2,1-2H3/b20-15-,21-18+.
What are the key properties of (NE)-N-[1-phenyl-3-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butylidene]hydroxylamine?
(NE)-N-[1-phenyl-3-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butylidene]hydroxylamine has a molecular weight of 295.39 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-phenyl-3-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butylidene]hydroxylamine is sourced from PubChem (CID 10469787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).