N-[[4-[(E)-2-(ethylideneamino)hept-2-en-3-yl]phenyl]methyl]formamide

C17H24N2O — CID 174248634

IUPACN-[[4-[(E)-2-(ethylideneamino)hept-2-en-3-yl]phenyl]methyl]formamide
SMILESC/C=N/C(C)=C(\CCCC)c1ccc(CNC=O)cc1
InChIInChI=1S/C17H24N2O/c1-4-6-7-17(14(3)19-5-2)16-10-8-15(9-11-16)12-18-13-20/h5,8-11,13H,4,6-7,12H2,1-3H3,(H,18,20)/b17-14+,19-5+
InChIKeyVJSMFSQDMGXFOP-GSDRLHLMSA-N
MW272.39 g/mol
LogP3.94
Rot. Bonds8

About N-[[4-[(E)-2-(ethylideneamino)hept-2-en-3-yl]phenyl]methyl]formamide

N-[[4-[(E)-2-(ethylideneamino)hept-2-en-3-yl]phenyl]methyl]formamide (PubChem CID 174248634) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[[4-[(E)-2-(ethylideneamino)hept-2-en-3-yl]phenyl]methyl]formamide.

Molecular Properties

Compound NameN-[[4-[(E)-2-(ethylideneamino)hept-2-en-3-yl]phenyl]methyl]formamide
PubChem CID174248634
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[[4-[(E)-2-(ethylideneamino)hept-2-en-3-yl]phenyl]methyl]formamide
SMILESC/C=N/C(C)=C(\CCCC)c1ccc(CNC=O)cc1
InChIInChI=1S/C17H24N2O/c1-4-6-7-17(14(3)19-5-2)16-10-8-15(9-11-16)12-18-13-20/h5,8-11,13H,4,6-7,12H2,1-3H3,(H,18,20)/b17-14+,19-5+
InChIKeyVJSMFSQDMGXFOP-GSDRLHLMSA-N
XLogP3.94
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.94
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'}

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Related Compounds

N-[[4-(2-methyl-1-methylsulfanylprop-1-enyl)phenyl]methyl]formamide
CID 156886658
N-benzylformamide;2-imino-1-(4-phenylsulfanylphenyl)octan-1-one
CID 159310622
N-[1-(4-ethylphenyl)ethylideneamino]heptanamide
CID 3659452
N-[1-(4-ethylphenyl)ethylideneamino]nonanamide
CID 4685925
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
1-[4-(butylaminomethyl)phenyl]octan-1-one
CID 142267372
sodium 4-[(decanoylamino)methyl]benzoate
CID 23676819
N-[[4-(aminomethyl)phenyl]methyl]formamide;hydrochloride
CID 141415760
N,N'-bis[1-(4-ethylphenyl)ethylideneamino]hexanediamide
CID 3720428
N-[[4-[(dimethylamino)methyl]phenyl]methyl]pentanamide
CID 78810655
N-[(4-methylsulfonylphenyl)methyl]formamide
CID 64992052
N-[(4-methylsulfinylphenyl)methyl]formamide
CID 144669609

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(E)-2-(ethylideneamino)hept-2-en-3-yl]phenyl]methyl]formamide?
The IUPAC name of N-[[4-[(E)-2-(ethylideneamino)hept-2-en-3-yl]phenyl]methyl]formamide (CID 174248634) is N-[[4-[(E)-2-(ethylideneamino)hept-2-en-3-yl]phenyl]methyl]formamide.
What is the SMILES notation for N-[[4-[(E)-2-(ethylideneamino)hept-2-en-3-yl]phenyl]methyl]formamide?
The canonical SMILES for N-[[4-[(E)-2-(ethylideneamino)hept-2-en-3-yl]phenyl]methyl]formamide is C/C=N/C(C)=C(\CCCC)c1ccc(CNC=O)cc1.
What is the InChIKey of N-[[4-[(E)-2-(ethylideneamino)hept-2-en-3-yl]phenyl]methyl]formamide?
The InChIKey is VJSMFSQDMGXFOP-GSDRLHLMSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-6-7-17(14(3)19-5-2)16-10-8-15(9-11-16)12-18-13-20/h5,8-11,13H,4,6-7,12H2,1-3H3,(H,18,20)/b17-14+,19-5+.
What are the key properties of N-[[4-[(E)-2-(ethylideneamino)hept-2-en-3-yl]phenyl]methyl]formamide?
N-[[4-[(E)-2-(ethylideneamino)hept-2-en-3-yl]phenyl]methyl]formamide has a molecular weight of 272.39 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(E)-2-(ethylideneamino)hept-2-en-3-yl]phenyl]methyl]formamide is sourced from PubChem (CID 174248634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).