N'-[(Z)-2-(benzylideneamino)-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide

C19H15N5O — CID 5325276

IUPACN'-[(Z)-2-(benzylideneamino)-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide
SMILESN#CC(/N=C/NOCc1ccccc1)=C(C#N)/N=C/c1ccccc1
InChIInChI=1S/C19H15N5O/c20-11-18(22-13-16-7-3-1-4-8-16)19(12-21)23-15-24-25-14-17-9-5-2-6-10-17/h1-10,13,15H,14H2,(H,23,24)/b19-18-,22-13+
InChIKeyNJSPMZAGGFBLGI-MRYDNHKSSA-N
MW329.36 g/mol
LogP3.11
Rot. Bonds7

About N'-[(Z)-2-(benzylideneamino)-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide

N'-[(Z)-2-(benzylideneamino)-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide (PubChem CID 5325276) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is N'-[(Z)-2-(benzylideneamino)-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-2-(benzylideneamino)-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide
PubChem CID5325276
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC NameN'-[(Z)-2-(benzylideneamino)-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide
SMILESN#CC(/N=C/NOCc1ccccc1)=C(C#N)/N=C/c1ccccc1
InChIInChI=1S/C19H15N5O/c20-11-18(22-13-16-7-3-1-4-8-16)19(12-21)23-15-24-25-14-17-9-5-2-6-10-17/h1-10,13,15H,14H2,(H,23,24)/b19-18-,22-13+
InChIKeyNJSPMZAGGFBLGI-MRYDNHKSSA-N
XLogP3.11
TPSA93.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-1,2-dicyano-2-[(3,4,5-trihydroxyphenyl)methylideneamino]ethenyl]-N-phenylmethoxymethanimidamide
CID 136854426
N'-(1-amino-2-methylpropan-2-yl)-N-phenylmethoxymethanimidamide
CID 102398276
(Z)-4,4-dimethyl-1-(phenylmethoxyamino)pent-1-en-3-one
CID 10243078
O-benzyl N-(benzylideneamino)carbamothioate
CID 154153240
N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
CID 2457580
1-benzyl-3-[(Z)-1,2-dicyano-2-[(4-methoxyanilino)methylideneamino]ethenyl]urea
CID 11760534
2-phenylmethoxyprop-2-enenitrile
CID 23172777
CID 118384306
CID 118384306
benzyl N-hydroxymethanimidate
CID 134694398
benzyl N-[2-[(4-methylphenyl)methylideneamino]-2-oxoethyl]carbamate
CID 102528633
N-[(E)-2-amino-1,2-dicyanoethenyl]-N'-benzylmethanimidamide
CID 3005069
benzyl (NE)-N-[(3-bromophenyl)methylidene]carbamate
CID 57327279

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-2-(benzylideneamino)-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide?
The IUPAC name of N'-[(Z)-2-(benzylideneamino)-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide (CID 5325276) is N'-[(Z)-2-(benzylideneamino)-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide.
What is the SMILES notation for N'-[(Z)-2-(benzylideneamino)-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide?
The canonical SMILES for N'-[(Z)-2-(benzylideneamino)-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide is N#CC(/N=C/NOCc1ccccc1)=C(C#N)/N=C/c1ccccc1.
What is the InChIKey of N'-[(Z)-2-(benzylideneamino)-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide?
The InChIKey is NJSPMZAGGFBLGI-MRYDNHKSSA-N. The full InChI is InChI=1S/C19H15N5O/c20-11-18(22-13-16-7-3-1-4-8-16)19(12-21)23-15-24-25-14-17-9-5-2-6-10-17/h1-10,13,15H,14H2,(H,23,24)/b19-18-,22-13+.
What are the key properties of N'-[(Z)-2-(benzylideneamino)-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide?
N'-[(Z)-2-(benzylideneamino)-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide has a molecular weight of 329.36 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-(benzylideneamino)-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide is sourced from PubChem (CID 5325276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).