N-[6-[2-(C,N-dimethylcarbonimidoyl)phenyl]-5-methylidenehepta-1,3-dien-2-yl]formamide

C18H22N2O — CID 90781913

IUPACN-[6-[2-(C,N-dimethylcarbonimidoyl)phenyl]-5-methylidenehepta-1,3-dien-2-yl]formamide
SMILESC=C(C=CC(=C)C(C)c1ccccc1/C(C)=N/C)NC=O
InChIInChI=1S/C18H22N2O/c1-13(10-11-14(2)20-12-21)15(3)17-8-6-7-9-18(17)16(4)19-5/h6-12,15H,1-2H2,3-5H3,(H,20,21)/b11-10?,19-16+
InChIKeyXPJUPVPYXPKIAC-CYCFRLSGSA-N
MW282.39 g/mol
LogP3.60
Rot. Bonds7

About N-[6-[2-(C,N-dimethylcarbonimidoyl)phenyl]-5-methylidenehepta-1,3-dien-2-yl]formamide

N-[6-[2-(C,N-dimethylcarbonimidoyl)phenyl]-5-methylidenehepta-1,3-dien-2-yl]formamide (PubChem CID 90781913) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[6-[2-(C,N-dimethylcarbonimidoyl)phenyl]-5-methylidenehepta-1,3-dien-2-yl]formamide.

Molecular Properties

Compound NameN-[6-[2-(C,N-dimethylcarbonimidoyl)phenyl]-5-methylidenehepta-1,3-dien-2-yl]formamide
PubChem CID90781913
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[6-[2-(C,N-dimethylcarbonimidoyl)phenyl]-5-methylidenehepta-1,3-dien-2-yl]formamide
SMILESC=C(C=CC(=C)C(C)c1ccccc1/C(C)=N/C)NC=O
InChIInChI=1S/C18H22N2O/c1-13(10-11-14(2)20-12-21)15(3)17-8-6-7-9-18(17)16(4)19-5/h6-12,15H,1-2H2,3-5H3,(H,20,21)/b11-10?,19-16+
InChIKeyXPJUPVPYXPKIAC-CYCFRLSGSA-N
XLogP3.60
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-6-(2-ethanimidoylphenyl)-5-methylidenehept-3-en-2-imine
CID 90963737
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2-[1-[2-(1-oxopropan-2-yl)phenyl]ethenyl]benzoic acid
CID 22151877
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]formamide
CID 135450929
ethane;1-[(2E)-4-methylpenta-2,4-dien-2-yl]-2-propan-2-ylbenzene
CID 142104911
3-(2-benzoylphenyl)butan-2-one
CID 69061840
N-(1-naphthalen-1-ylethenyl)formamide
CID 175490911
1-[(E)-but-2-en-2-yl]-2-propan-2-ylbenzene
CID 147553319
3-methyl-2-methylimino-1-(2-methylphenyl)but-3-en-1-one
CID 155106801
3-(C,N-dimethylcarbonimidoyl)-1H-pyridin-2-one
CID 142498982
1-(1-isocyanatopropan-2-yl)-2-prop-1-en-2-ylbenzene
CID 140524479
1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
CID 67945637

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(C,N-dimethylcarbonimidoyl)phenyl]-5-methylidenehepta-1,3-dien-2-yl]formamide?
The IUPAC name of N-[6-[2-(C,N-dimethylcarbonimidoyl)phenyl]-5-methylidenehepta-1,3-dien-2-yl]formamide (CID 90781913) is N-[6-[2-(C,N-dimethylcarbonimidoyl)phenyl]-5-methylidenehepta-1,3-dien-2-yl]formamide.
What is the SMILES notation for N-[6-[2-(C,N-dimethylcarbonimidoyl)phenyl]-5-methylidenehepta-1,3-dien-2-yl]formamide?
The canonical SMILES for N-[6-[2-(C,N-dimethylcarbonimidoyl)phenyl]-5-methylidenehepta-1,3-dien-2-yl]formamide is C=C(C=CC(=C)C(C)c1ccccc1/C(C)=N/C)NC=O.
What is the InChIKey of N-[6-[2-(C,N-dimethylcarbonimidoyl)phenyl]-5-methylidenehepta-1,3-dien-2-yl]formamide?
The InChIKey is XPJUPVPYXPKIAC-CYCFRLSGSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13(10-11-14(2)20-12-21)15(3)17-8-6-7-9-18(17)16(4)19-5/h6-12,15H,1-2H2,3-5H3,(H,20,21)/b11-10?,19-16+.
What are the key properties of N-[6-[2-(C,N-dimethylcarbonimidoyl)phenyl]-5-methylidenehepta-1,3-dien-2-yl]formamide?
N-[6-[2-(C,N-dimethylcarbonimidoyl)phenyl]-5-methylidenehepta-1,3-dien-2-yl]formamide has a molecular weight of 282.39 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(C,N-dimethylcarbonimidoyl)phenyl]-5-methylidenehepta-1,3-dien-2-yl]formamide is sourced from PubChem (CID 90781913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).