(2Z)-1,2-bis(4-methoxyphenyl)-2-(methylhydrazinylidene)ethanone

C17H18N2O3 — CID 24828690

IUPAC(2Z)-1,2-bis(4-methoxyphenyl)-2-(methylhydrazinylidene)ethanone
SMILESCN/N=C(\C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H18N2O3/c1-18-19-16(12-4-8-14(21-2)9-5-12)17(20)13-6-10-15(22-3)11-7-13/h4-11,18H,1-3H3/b19-16-
InChIKeyNJEZGDPVNHIEKF-MNDPQUGUSA-N
MW298.34 g/mol
LogP2.51
Rot. Bonds6

About (2Z)-1,2-bis(4-methoxyphenyl)-2-(methylhydrazinylidene)ethanone

(2Z)-1,2-bis(4-methoxyphenyl)-2-(methylhydrazinylidene)ethanone (PubChem CID 24828690) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2Z)-1,2-bis(4-methoxyphenyl)-2-(methylhydrazinylidene)ethanone.

Molecular Properties

Compound Name(2Z)-1,2-bis(4-methoxyphenyl)-2-(methylhydrazinylidene)ethanone
PubChem CID24828690
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(2Z)-1,2-bis(4-methoxyphenyl)-2-(methylhydrazinylidene)ethanone
SMILESCN/N=C(\C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H18N2O3/c1-18-19-16(12-4-8-14(21-2)9-5-12)17(20)13-6-10-15(22-3)11-7-13/h4-11,18H,1-3H3/b19-16-
InChIKeyNJEZGDPVNHIEKF-MNDPQUGUSA-N
XLogP2.51
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N'-(methylamino)benzenecarboximidamide
CID 88906808
methyl 2-[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenoxy]acetate
CID 20843625
[[2-(4-methoxyphenyl)-2-oxo-1-phenylethylidene]amino] acetate
CID 72596234
1-(4-methoxyphenyl)-2-methylbuta-2,3-dien-1-one
CID 101128425
methyl 2-[4-(4-methoxyphenyl)phenyl]-2-oxoacetate
CID 125477773
(2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one
CID 51371469
1-hydrazinylidene-1-(4-methoxyphenyl)propan-2-one
CID 173327483
[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenyl] benzoate
CID 22300297
S-methyl 2-(4-methoxyphenyl)-2-oxoethanethioate
CID 12957088
4-(4-methoxyphenyl)-3-(methylamino)-4-oxobutanoic acid
CID 82322522
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154
2,3-difluoro-1,3-bis(4-methoxyphenyl)prop-2-en-1-one
CID 5186455

Frequently Asked Questions

What is the IUPAC name of (2Z)-1,2-bis(4-methoxyphenyl)-2-(methylhydrazinylidene)ethanone?
The IUPAC name of (2Z)-1,2-bis(4-methoxyphenyl)-2-(methylhydrazinylidene)ethanone (CID 24828690) is (2Z)-1,2-bis(4-methoxyphenyl)-2-(methylhydrazinylidene)ethanone.
What is the SMILES notation for (2Z)-1,2-bis(4-methoxyphenyl)-2-(methylhydrazinylidene)ethanone?
The canonical SMILES for (2Z)-1,2-bis(4-methoxyphenyl)-2-(methylhydrazinylidene)ethanone is CN/N=C(\C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of (2Z)-1,2-bis(4-methoxyphenyl)-2-(methylhydrazinylidene)ethanone?
The InChIKey is NJEZGDPVNHIEKF-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-18-19-16(12-4-8-14(21-2)9-5-12)17(20)13-6-10-15(22-3)11-7-13/h4-11,18H,1-3H3/b19-16-.
What are the key properties of (2Z)-1,2-bis(4-methoxyphenyl)-2-(methylhydrazinylidene)ethanone?
(2Z)-1,2-bis(4-methoxyphenyl)-2-(methylhydrazinylidene)ethanone has a molecular weight of 298.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1,2-bis(4-methoxyphenyl)-2-(methylhydrazinylidene)ethanone is sourced from PubChem (CID 24828690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).