2-(N-hydroxyanilino)-2-(4-methoxyphenyl)acetonitrile

C15H14N2O2 — CID 101024506

IUPAC2-(N-hydroxyanilino)-2-(4-methoxyphenyl)acetonitrile
SMILESCOc1ccc(C(C#N)N(O)c2ccccc2)cc1
InChIInChI=1S/C15H14N2O2/c1-19-14-9-7-12(8-10-14)15(11-16)17(18)13-5-3-2-4-6-13/h2-10,15,18H,1H3
InChIKeyDPMMELRQUUALRW-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.16
Rot. Bonds4

About 2-(N-hydroxyanilino)-2-(4-methoxyphenyl)acetonitrile

2-(N-hydroxyanilino)-2-(4-methoxyphenyl)acetonitrile (PubChem CID 101024506) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(N-hydroxyanilino)-2-(4-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(N-hydroxyanilino)-2-(4-methoxyphenyl)acetonitrile
PubChem CID101024506
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-(N-hydroxyanilino)-2-(4-methoxyphenyl)acetonitrile
SMILESCOc1ccc(C(C#N)N(O)c2ccccc2)cc1
InChIInChI=1S/C15H14N2O2/c1-19-14-9-7-12(8-10-14)15(11-16)17(18)13-5-3-2-4-6-13/h2-10,15,18H,1H3
InChIKeyDPMMELRQUUALRW-UHFFFAOYSA-N
XLogP3.16
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(N-hydroxy-4-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile
CID 11460297
N-[cyano(phenyl)methyl]-N-[2-[[cyano(phenyl)methyl]-(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 51351092
3-chloro-N-[cyano(phenyl)methyl]-N-(4-methoxyphenyl)propanamide
CID 3504640
anisole;cyanic acid
CID 174663500
2-cyano-N-(4-methoxyphenyl)-N-methyl-2-phenylacetamide
CID 62879005
(2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile
CID 174733563
(2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile
CID 101059199
4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 122451360
(2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile
CID 899635
methyl (2R,4S)-4-(4-methoxyphenyl)-2-methyl-4-(N-phenylanilino)butanoate
CID 134852762
2-[cyclohexyl(methyl)amino]-2-(4-methoxyphenyl)acetonitrile
CID 84757170
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905

Frequently Asked Questions

What is the IUPAC name of 2-(N-hydroxyanilino)-2-(4-methoxyphenyl)acetonitrile?
The IUPAC name of 2-(N-hydroxyanilino)-2-(4-methoxyphenyl)acetonitrile (CID 101024506) is 2-(N-hydroxyanilino)-2-(4-methoxyphenyl)acetonitrile.
What is the SMILES notation for 2-(N-hydroxyanilino)-2-(4-methoxyphenyl)acetonitrile?
The canonical SMILES for 2-(N-hydroxyanilino)-2-(4-methoxyphenyl)acetonitrile is COc1ccc(C(C#N)N(O)c2ccccc2)cc1.
What is the InChIKey of 2-(N-hydroxyanilino)-2-(4-methoxyphenyl)acetonitrile?
The InChIKey is DPMMELRQUUALRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-19-14-9-7-12(8-10-14)15(11-16)17(18)13-5-3-2-4-6-13/h2-10,15,18H,1H3.
What are the key properties of 2-(N-hydroxyanilino)-2-(4-methoxyphenyl)acetonitrile?
2-(N-hydroxyanilino)-2-(4-methoxyphenyl)acetonitrile has a molecular weight of 254.29 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-hydroxyanilino)-2-(4-methoxyphenyl)acetonitrile is sourced from PubChem (CID 101024506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).