N-[(E)-1-(2-hydroxyphenyl)propylideneamino]dodecanamide

C21H34N2O2 — CID 135533779

IUPACN-[(E)-1-(2-hydroxyphenyl)propylideneamino]dodecanamide
SMILESCCCCCCCCCCCC(=O)N/N=C(\CC)c1ccccc1O
InChIInChI=1S/C21H34N2O2/c1-3-5-6-7-8-9-10-11-12-17-21(25)23-22-19(4-2)18-15-13-14-16-20(18)24/h13-16,24H,3-12,17H2,1-2H3,(H,23,25)/b22-19+
InChIKeyMEPBURDDBWEGJL-ZBJSNUHESA-N
MW346.51 g/mol
LogP5.54
Rot. Bonds13

About N-[(E)-1-(2-hydroxyphenyl)propylideneamino]dodecanamide

N-[(E)-1-(2-hydroxyphenyl)propylideneamino]dodecanamide (PubChem CID 135533779) has the molecular formula C21H34N2O2 and a molecular weight of 346.51 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxyphenyl)propylideneamino]dodecanamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxyphenyl)propylideneamino]dodecanamide
PubChem CID135533779
Molecular FormulaC21H34N2O2
Molecular Weight346.51 g/mol
Exact Mass346.26
IUPAC NameN-[(E)-1-(2-hydroxyphenyl)propylideneamino]dodecanamide
SMILESCCCCCCCCCCCC(=O)N/N=C(\CC)c1ccccc1O
InChIInChI=1S/C21H34N2O2/c1-3-5-6-7-8-9-10-11-12-17-21(25)23-22-19(4-2)18-15-13-14-16-20(18)24/h13-16,24H,3-12,17H2,1-2H3,(H,23,25)/b22-19+
InChIKeyMEPBURDDBWEGJL-ZBJSNUHESA-N
XLogP5.54
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.51
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-[1-(2-hydroxyphenyl)propylideneamino]pentanamide
CID 4060923
N,N'-bis[1-(2-hydroxyphenyl)propylideneamino]hexanediamide
CID 3340797
N-[1-(2-hydroxyphenyl)ethylideneamino]decanamide
CID 3656120
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]octanamide
CID 135458893
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]dodecanamide
CID 135704395
N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]hexanamide
CID 136716001
N-[1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 4154549
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 6023036
N-[(E)-1-(4-methylphenyl)propylideneamino]decanamide
CID 6262832
N-(1-phenylpentylideneamino)octanamide
CID 4676930
N-(1-phenylpropylideneamino)pentanamide
CID 4996868
N-[(E)-1-(4-chlorophenyl)propylideneamino]hexanamide
CID 6029977

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]dodecanamide?
The IUPAC name of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]dodecanamide (CID 135533779) is N-[(E)-1-(2-hydroxyphenyl)propylideneamino]dodecanamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxyphenyl)propylideneamino]dodecanamide?
The canonical SMILES for N-[(E)-1-(2-hydroxyphenyl)propylideneamino]dodecanamide is CCCCCCCCCCCC(=O)N/N=C(\CC)c1ccccc1O.
What is the InChIKey of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]dodecanamide?
The InChIKey is MEPBURDDBWEGJL-ZBJSNUHESA-N. The full InChI is InChI=1S/C21H34N2O2/c1-3-5-6-7-8-9-10-11-12-17-21(25)23-22-19(4-2)18-15-13-14-16-20(18)24/h13-16,24H,3-12,17H2,1-2H3,(H,23,25)/b22-19+.
What are the key properties of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]dodecanamide?
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]dodecanamide has a molecular weight of 346.51 g/mol, XLogP of 5.54, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxyphenyl)propylideneamino]dodecanamide is sourced from PubChem (CID 135533779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).