N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]pentanamide

C19H22N2O2 — CID 110506844

IUPACN-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C/c1ccccc1COc1ccccc1
InChIInChI=1S/C19H22N2O2/c1-2-3-13-19(22)21-20-14-16-9-7-8-10-17(16)15-23-18-11-5-4-6-12-18/h4-12,14H,2-3,13,15H2,1H3,(H,21,22)/b20-14+
InChIKeyXJJCTEHDLNNBSE-XSFVSMFZSA-N
MW310.40 g/mol
LogP3.91
Rot. Bonds8

About N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]pentanamide

N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]pentanamide (PubChem CID 110506844) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]pentanamide.

Molecular Properties

Compound NameN-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]pentanamide
PubChem CID110506844
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C/c1ccccc1COc1ccccc1
InChIInChI=1S/C19H22N2O2/c1-2-3-13-19(22)21-20-14-16-9-7-8-10-17(16)15-23-18-11-5-4-6-12-18/h4-12,14H,2-3,13,15H2,1H3,(H,21,22)/b20-14+
InChIKeyXJJCTEHDLNNBSE-XSFVSMFZSA-N
XLogP3.91
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide
CID 110507196
N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
CID 135509646
4-methyl-N-[(Z)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide
CID 110509126
N-[(Z)-(2-ethoxyphenyl)methylideneamino]pentanamide
CID 5381098
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 51060625
N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 3861652
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
CID 6302563
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-[(2-methylphenyl)methylideneamino]undecanamide
CID 4136077
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]pentanamide
CID 110506839
N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetradecanamide
CID 45054649

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]pentanamide?
The IUPAC name of N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]pentanamide (CID 110506844) is N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]pentanamide.
What is the SMILES notation for N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]pentanamide?
The canonical SMILES for N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]pentanamide is CCCCC(=O)N/N=C/c1ccccc1COc1ccccc1.
What is the InChIKey of N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]pentanamide?
The InChIKey is XJJCTEHDLNNBSE-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-3-13-19(22)21-20-14-16-9-7-8-10-17(16)15-23-18-11-5-4-6-12-18/h4-12,14H,2-3,13,15H2,1H3,(H,21,22)/b20-14+.
What are the key properties of N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]pentanamide?
N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]pentanamide has a molecular weight of 310.40 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]pentanamide is sourced from PubChem (CID 110506844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).