3-(1-anilinoethenylamino)-N'-phenylbut-2-enimidamide

C18H20N4 — CID 173491524

IUPAC3-(1-anilinoethenylamino)-N'-phenylbut-2-enimidamide
SMILESC=C(NC(C)=C/C(N)=N/c1ccccc1)Nc1ccccc1
InChIInChI=1S/C18H20N4/c1-14(13-18(19)22-17-11-7-4-8-12-17)20-15(2)21-16-9-5-3-6-10-16/h3-13,20-21H,2H2,1H3,(H2,19,22)
InChIKeyBBGGKBZXSYCXPV-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.75
Rot. Bonds6

About 3-(1-anilinoethenylamino)-N'-phenylbut-2-enimidamide

3-(1-anilinoethenylamino)-N'-phenylbut-2-enimidamide (PubChem CID 173491524) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 3-(1-anilinoethenylamino)-N'-phenylbut-2-enimidamide.

Molecular Properties

Compound Name3-(1-anilinoethenylamino)-N'-phenylbut-2-enimidamide
PubChem CID173491524
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name3-(1-anilinoethenylamino)-N'-phenylbut-2-enimidamide
SMILESC=C(NC(C)=C/C(N)=N/c1ccccc1)Nc1ccccc1
InChIInChI=1S/C18H20N4/c1-14(13-18(19)22-17-11-7-4-8-12-17)20-15(2)21-16-9-5-3-6-10-16/h3-13,20-21H,2H2,1H3,(H2,19,22)
InChIKeyBBGGKBZXSYCXPV-UHFFFAOYSA-N
XLogP3.75
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N'-diphenylethene-1,1-diamine
CID 18406310
dimethylgallane;N,N'-diphenylethanimidamide
CID 173308791
N'-(N,N'-diphenylcarbamimidoyl)propanimidamide
CID 102035335
zinc;1,2-diphenylguanidine;oxygen(2-);sulfane;hydrate
CID 172780752
N-[(Z)-4-methyliminopent-2-en-2-yl]aniline
CID 23579015
N-[(3E)-4-phenylpenta-1,3-dien-2-yl]aniline
CID 167145828
1-(C,N-diphenylcarbonimidoyl)-3-phenylurea
CID 135454305
N-penta-1,3-dien-2-yl-N'-phenylethanimidamide
CID 123975051
[[(Z)-5-oxo-4-phenyliminohex-2-en-2-yl]amino]urea
CID 154721294
(E)-3-anilinobut-2-enoic acid
CID 89350388
(Z)-5-methyl-4-phenyliminohex-2-en-2-amine
CID 177051041
[(E)-prop-1-enyl] N,N'-diphenylcarbamimidothioate
CID 6382718

Frequently Asked Questions

What is the IUPAC name of 3-(1-anilinoethenylamino)-N'-phenylbut-2-enimidamide?
The IUPAC name of 3-(1-anilinoethenylamino)-N'-phenylbut-2-enimidamide (CID 173491524) is 3-(1-anilinoethenylamino)-N'-phenylbut-2-enimidamide.
What is the SMILES notation for 3-(1-anilinoethenylamino)-N'-phenylbut-2-enimidamide?
The canonical SMILES for 3-(1-anilinoethenylamino)-N'-phenylbut-2-enimidamide is C=C(NC(C)=C/C(N)=N/c1ccccc1)Nc1ccccc1.
What is the InChIKey of 3-(1-anilinoethenylamino)-N'-phenylbut-2-enimidamide?
The InChIKey is BBGGKBZXSYCXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-14(13-18(19)22-17-11-7-4-8-12-17)20-15(2)21-16-9-5-3-6-10-16/h3-13,20-21H,2H2,1H3,(H2,19,22).
What are the key properties of 3-(1-anilinoethenylamino)-N'-phenylbut-2-enimidamide?
3-(1-anilinoethenylamino)-N'-phenylbut-2-enimidamide has a molecular weight of 292.39 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-anilinoethenylamino)-N'-phenylbut-2-enimidamide is sourced from PubChem (CID 173491524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).