2-(N-hydroxy-4-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile

C16H16N2O3 — CID 11460297

IUPAC2-(N-hydroxy-4-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile
SMILESCOc1ccc(C(C#N)N(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H16N2O3/c1-20-14-7-3-12(4-8-14)16(11-17)18(19)13-5-9-15(21-2)10-6-13/h3-10,16,19H,1-2H3
InChIKeyAVDPQQKTFPOERW-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.16
Rot. Bonds5

About 2-(N-hydroxy-4-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile

2-(N-hydroxy-4-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile (PubChem CID 11460297) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(N-hydroxy-4-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(N-hydroxy-4-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile
PubChem CID11460297
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-(N-hydroxy-4-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile
SMILESCOc1ccc(C(C#N)N(O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H16N2O3/c1-20-14-7-3-12(4-8-14)16(11-17)18(19)13-5-9-15(21-2)10-6-13/h3-10,16,19H,1-2H3
InChIKeyAVDPQQKTFPOERW-UHFFFAOYSA-N
XLogP3.16
TPSA65.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(N-hydroxyanilino)-2-(4-methoxyphenyl)acetonitrile
CID 101024506
2-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)acetonitrile
CID 84757170
3-chloro-N-[cyano(phenyl)methyl]-N-(4-methoxyphenyl)propanamide
CID 3504640
methyl 2-[(N-[(4-bromophenyl)-cyanomethyl]-4-methoxyanilino)methyl]prop-2-enoate
CID 102338081
bis[4-(4-methoxy-N-methylanilino)phenyl]methanol
CID 139653192
2-(4-methoxyphenyl)-3-oxobutanenitrile
CID 159061964
N-[cyano(phenyl)methyl]-N-[2-[[cyano(phenyl)methyl]-(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 51351092
2-(4-methoxyphenyl)-3-oxopropanenitrile
CID 10866844
2-[4-[cyano-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)acetonitrile
CID 3126730
2-cyano-N-(4-methoxyphenyl)-N-methyl-2-phenylacetamide
CID 62879005
3-methoxyimino-2-(4-methoxyphenyl)butanenitrile
CID 135039925
(2S,4S)-3-(4-methoxyphenyl)-2,4-dinitropentanedinitrile
CID 125114620

Frequently Asked Questions

What is the IUPAC name of 2-(N-hydroxy-4-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile?
The IUPAC name of 2-(N-hydroxy-4-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile (CID 11460297) is 2-(N-hydroxy-4-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile.
What is the SMILES notation for 2-(N-hydroxy-4-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile?
The canonical SMILES for 2-(N-hydroxy-4-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile is COc1ccc(C(C#N)N(O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-(N-hydroxy-4-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile?
The InChIKey is AVDPQQKTFPOERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-20-14-7-3-12(4-8-14)16(11-17)18(19)13-5-9-15(21-2)10-6-13/h3-10,16,19H,1-2H3.
What are the key properties of 2-(N-hydroxy-4-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile?
2-(N-hydroxy-4-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile has a molecular weight of 284.32 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-hydroxy-4-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile is sourced from PubChem (CID 11460297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).