N-[(2-methylphenyl)methylideneamino]undecanamide

C19H30N2O — CID 4136077

IUPACN-[(2-methylphenyl)methylideneamino]undecanamide
SMILESCCCCCCCCCCC(=O)NN=Cc1ccccc1C
InChIInChI=1S/C19H30N2O/c1-3-4-5-6-7-8-9-10-15-19(22)21-20-16-18-14-12-11-13-17(18)2/h11-14,16H,3-10,15H2,1-2H3,(H,21,22)
InChIKeyUHYSYHXEKZZBSP-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.98
Rot. Bonds11

About N-[(2-methylphenyl)methylideneamino]undecanamide

N-[(2-methylphenyl)methylideneamino]undecanamide (PubChem CID 4136077) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[(2-methylphenyl)methylideneamino]undecanamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methylideneamino]undecanamide
PubChem CID4136077
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[(2-methylphenyl)methylideneamino]undecanamide
SMILESCCCCCCCCCCC(=O)NN=Cc1ccccc1C
InChIInChI=1S/C19H30N2O/c1-3-4-5-6-7-8-9-10-15-19(22)21-20-16-18-14-12-11-13-17(18)2/h11-14,16H,3-10,15H2,1-2H3,(H,21,22)
InChIKeyUHYSYHXEKZZBSP-UHFFFAOYSA-N
XLogP4.98
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
N-(2-hydroxyphenyl)-N'-[(E)-(2-methylphenyl)methylideneamino]octanediamide
CID 44507510
N-[[2-(trifluoromethyl)phenyl]methylideneamino]decanamide
CID 5075472
N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]octadecanamide
CID 45054433
N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
CID 135509646
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide
CID 5338610
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 136719377
N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetradecanamide
CID 45054649

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methylideneamino]undecanamide?
The IUPAC name of N-[(2-methylphenyl)methylideneamino]undecanamide (CID 4136077) is N-[(2-methylphenyl)methylideneamino]undecanamide.
What is the SMILES notation for N-[(2-methylphenyl)methylideneamino]undecanamide?
The canonical SMILES for N-[(2-methylphenyl)methylideneamino]undecanamide is CCCCCCCCCCC(=O)NN=Cc1ccccc1C.
What is the InChIKey of N-[(2-methylphenyl)methylideneamino]undecanamide?
The InChIKey is UHYSYHXEKZZBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-3-4-5-6-7-8-9-10-15-19(22)21-20-16-18-14-12-11-13-17(18)2/h11-14,16H,3-10,15H2,1-2H3,(H,21,22).
What are the key properties of N-[(2-methylphenyl)methylideneamino]undecanamide?
N-[(2-methylphenyl)methylideneamino]undecanamide has a molecular weight of 302.46 g/mol, XLogP of 4.98, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methylideneamino]undecanamide is sourced from PubChem (CID 4136077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).