N-[N-ethenyl-C-[(Z)-2-propan-2-ylhept-4-enyl]carbonimidoyl]benzamide

C20H28N2O — CID 167022049

IUPACN-[N-ethenyl-C-[(Z)-2-propan-2-ylhept-4-enyl]carbonimidoyl]benzamide
SMILESC=C/N=C(/CC(C/C=C\CC)C(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C20H28N2O/c1-5-7-9-14-18(16(3)4)15-19(21-6-2)22-20(23)17-12-10-8-11-13-17/h6-13,16,18H,2,5,14-15H2,1,3-4H3,(H,21,22,23)/b9-7-
InChIKeyHXFKKJAPOPBZFN-CLFYSBASSA-N
MW312.46 g/mol
LogP4.98
Rot. Bonds8

About N-[N-ethenyl-C-[(Z)-2-propan-2-ylhept-4-enyl]carbonimidoyl]benzamide

N-[N-ethenyl-C-[(Z)-2-propan-2-ylhept-4-enyl]carbonimidoyl]benzamide (PubChem CID 167022049) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is N-[N-ethenyl-C-[(Z)-2-propan-2-ylhept-4-enyl]carbonimidoyl]benzamide.

Molecular Properties

Compound NameN-[N-ethenyl-C-[(Z)-2-propan-2-ylhept-4-enyl]carbonimidoyl]benzamide
PubChem CID167022049
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC NameN-[N-ethenyl-C-[(Z)-2-propan-2-ylhept-4-enyl]carbonimidoyl]benzamide
SMILESC=C/N=C(/CC(C/C=C\CC)C(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C20H28N2O/c1-5-7-9-14-18(16(3)4)15-19(21-6-2)22-20(23)17-12-10-8-11-13-17/h6-13,16,18H,2,5,14-15H2,1,3-4H3,(H,21,22,23)/b9-7-
InChIKeyHXFKKJAPOPBZFN-CLFYSBASSA-N
XLogP4.98
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[N-ethenyl-C-[2-(2-oxopyrrolidin-1-yl)hex-5-enyl]carbonimidoyl]benzamide
CID 167022079
N-[(2R)-1-oxopropan-2-yl]benzamide
CID 59710359
N-(2,4-dimethylpent-4-enoyl)benzamide
CID 15864898
N-penta-1,3-dien-3-ylbenzamide
CID 76693459
ethyl 2-benzamido-4-methylpent-2-enoate
CID 174918416
prop-2-enyl (3S)-3-benzamido-4-methylpentanoate
CID 101384499
N-[methyl(prop-2-enyl)carbamothioyl]benzamide
CID 71374205
N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]benzamide
CID 135603698
N-[(Z)-4-methylpentan-2-ylideneamino]benzamide
CID 6030985
N-(benzoylcarbamothioyl)benzamide;ethene
CID 157078951
ethane;N-methylbenzamide;2-methylpropane
CID 161462553
N-(ethylcarbamoyl)benzamide
CID 23273840

Frequently Asked Questions

What is the IUPAC name of N-[N-ethenyl-C-[(Z)-2-propan-2-ylhept-4-enyl]carbonimidoyl]benzamide?
The IUPAC name of N-[N-ethenyl-C-[(Z)-2-propan-2-ylhept-4-enyl]carbonimidoyl]benzamide (CID 167022049) is N-[N-ethenyl-C-[(Z)-2-propan-2-ylhept-4-enyl]carbonimidoyl]benzamide.
What is the SMILES notation for N-[N-ethenyl-C-[(Z)-2-propan-2-ylhept-4-enyl]carbonimidoyl]benzamide?
The canonical SMILES for N-[N-ethenyl-C-[(Z)-2-propan-2-ylhept-4-enyl]carbonimidoyl]benzamide is C=C/N=C(/CC(C/C=C\CC)C(C)C)NC(=O)c1ccccc1.
What is the InChIKey of N-[N-ethenyl-C-[(Z)-2-propan-2-ylhept-4-enyl]carbonimidoyl]benzamide?
The InChIKey is HXFKKJAPOPBZFN-CLFYSBASSA-N. The full InChI is InChI=1S/C20H28N2O/c1-5-7-9-14-18(16(3)4)15-19(21-6-2)22-20(23)17-12-10-8-11-13-17/h6-13,16,18H,2,5,14-15H2,1,3-4H3,(H,21,22,23)/b9-7-.
What are the key properties of N-[N-ethenyl-C-[(Z)-2-propan-2-ylhept-4-enyl]carbonimidoyl]benzamide?
N-[N-ethenyl-C-[(Z)-2-propan-2-ylhept-4-enyl]carbonimidoyl]benzamide has a molecular weight of 312.46 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-ethenyl-C-[(Z)-2-propan-2-ylhept-4-enyl]carbonimidoyl]benzamide is sourced from PubChem (CID 167022049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).