methyl N-[(E)-[(2E)-2-benzylideneheptylidene]amino]carbamate

C16H22N2O2 — CID 18206230

IUPACmethyl N-[(E)-[(2E)-2-benzylideneheptylidene]amino]carbamate
SMILESCCCCCC(/C=N/NC(=O)OC)=C\c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-3-4-6-11-15(13-17-18-16(19)20-2)12-14-9-7-5-8-10-14/h5,7-10,12-13H,3-4,6,11H2,1-2H3,(H,18,19)/b15-12+,17-13+
InChIKeyFMFJPKSJMMRGAS-KDOCSACZSA-N
MW274.36 g/mol
LogP3.99
Rot. Bonds7

About methyl N-[(E)-[(2E)-2-benzylideneheptylidene]amino]carbamate

methyl N-[(E)-[(2E)-2-benzylideneheptylidene]amino]carbamate (PubChem CID 18206230) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is methyl N-[(E)-[(2E)-2-benzylideneheptylidene]amino]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-[(2E)-2-benzylideneheptylidene]amino]carbamate
PubChem CID18206230
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Namemethyl N-[(E)-[(2E)-2-benzylideneheptylidene]amino]carbamate
SMILESCCCCCC(/C=N/NC(=O)OC)=C\c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-3-4-6-11-15(13-17-18-16(19)20-2)12-14-9-7-5-8-10-14/h5,7-10,12-13H,3-4,6,11H2,1-2H3,(H,18,19)/b15-12+,17-13+
InChIKeyFMFJPKSJMMRGAS-KDOCSACZSA-N
XLogP3.99
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzylideneheptylideneamino)-2-hydroxybenzamide
CID 3110234
4-amino-N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]benzamide
CID 7955494
N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-2-(4-fluorophenyl)acetamide
CID 7428997
(NZ)-N-[(2E)-2-benzylideneheptylidene]hydroxylamine
CID 5356023
N-[(E)-[(2Z)-2-benzylideneheptylidene]amino]-2-(4-cyanophenoxy)acetamide
CID 75460595
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide
CID 45054186
methyl (E,4E)-4-benzylidene-2-methoxynon-2-enoate
CID 139785086
[(Z)-[(2E)-2-benzylidenebutylidene]amino]urea
CID 6288454
N-(2-benzylideneheptylideneamino)-1H-benzimidazol-2-amine
CID 4622301
methyl N-[(Z)-1-phenylhexadecylideneamino]carbamate
CID 127261696
N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide
CID 6369714
N-[(E)-benzylideneamino]heptanamide
CID 6083821

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-[(2E)-2-benzylideneheptylidene]amino]carbamate?
The IUPAC name of methyl N-[(E)-[(2E)-2-benzylideneheptylidene]amino]carbamate (CID 18206230) is methyl N-[(E)-[(2E)-2-benzylideneheptylidene]amino]carbamate.
What is the SMILES notation for methyl N-[(E)-[(2E)-2-benzylideneheptylidene]amino]carbamate?
The canonical SMILES for methyl N-[(E)-[(2E)-2-benzylideneheptylidene]amino]carbamate is CCCCCC(/C=N/NC(=O)OC)=C\c1ccccc1.
What is the InChIKey of methyl N-[(E)-[(2E)-2-benzylideneheptylidene]amino]carbamate?
The InChIKey is FMFJPKSJMMRGAS-KDOCSACZSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-4-6-11-15(13-17-18-16(19)20-2)12-14-9-7-5-8-10-14/h5,7-10,12-13H,3-4,6,11H2,1-2H3,(H,18,19)/b15-12+,17-13+.
What are the key properties of methyl N-[(E)-[(2E)-2-benzylideneheptylidene]amino]carbamate?
methyl N-[(E)-[(2E)-2-benzylideneheptylidene]amino]carbamate has a molecular weight of 274.36 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-[(2E)-2-benzylideneheptylidene]amino]carbamate is sourced from PubChem (CID 18206230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).