N-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)-2-oxoethanimidoyl cyanide

C18H17N3O2 — CID 175672875

IUPACN-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)-2-oxoethanimidoyl cyanide
SMILESCOc1ccc(C(=O)/C(C#N)=N/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H17N3O2/c1-21(2)15-8-6-14(7-9-15)20-17(12-19)18(22)13-4-10-16(23-3)11-5-13/h4-11H,1-3H3/b20-17+
InChIKeyWWFYAVCOJPMHLL-LVZFUZTISA-N
MW307.35 g/mol
LogP3.24
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)-2-oxoethanimidoyl cyanide

N-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)-2-oxoethanimidoyl cyanide (PubChem CID 175672875) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)-2-oxoethanimidoyl cyanide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)-2-oxoethanimidoyl cyanide
PubChem CID175672875
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)-2-oxoethanimidoyl cyanide
SMILESCOc1ccc(C(=O)/C(C#N)=N/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H17N3O2/c1-21(2)15-8-6-14(7-9-15)20-17(12-19)18(22)13-4-10-16(23-3)11-5-13/h4-11H,1-3H3/b20-17+
InChIKeyWWFYAVCOJPMHLL-LVZFUZTISA-N
XLogP3.24
TPSA65.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-(dimethylamino)phenyl]-2-(4-methoxybenzoyl)prop-2-enenitrile
CID 8685083
2-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide
CID 134103507
2-amino-N-[4-(dimethylamino)phenyl]-2-oxoethanimidoyl cyanide
CID 15500431
(4-methoxyphenyl) 4-[[4-(dimethylamino)phenyl]iminomethyl]benzoate
CID 102305273
(1Z)-2-(4-methoxyphenyl)-N-(4-methylanilino)-2-oxoethanimidoyl cyanide
CID 6293273
N-[4-(dimethylamino)phenyl]naphthalene-2-carboximidoyl cyanide
CID 101125185
2-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(4-methoxyphenyl)-3-oxopropylidene]propanedinitrile
CID 72714638
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
N-(2,6-dichloroanilino)-2-(4-methoxyphenyl)-2-oxoethanimidoyl cyanide
CID 830587
4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
CID 3748752
2-[4-(dimethylamino)phenyl]-2-hydroxy-1-(4-methoxyphenyl)ethanone
CID 23319775
2,2-bis[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)acetonitrile
CID 100984975

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)-2-oxoethanimidoyl cyanide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)-2-oxoethanimidoyl cyanide (CID 175672875) is N-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)-2-oxoethanimidoyl cyanide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)-2-oxoethanimidoyl cyanide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)-2-oxoethanimidoyl cyanide is COc1ccc(C(=O)/C(C#N)=N/c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)-2-oxoethanimidoyl cyanide?
The InChIKey is WWFYAVCOJPMHLL-LVZFUZTISA-N. The full InChI is InChI=1S/C18H17N3O2/c1-21(2)15-8-6-14(7-9-15)20-17(12-19)18(22)13-4-10-16(23-3)11-5-13/h4-11H,1-3H3/b20-17+.
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)-2-oxoethanimidoyl cyanide?
N-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)-2-oxoethanimidoyl cyanide has a molecular weight of 307.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)-2-oxoethanimidoyl cyanide is sourced from PubChem (CID 175672875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).