N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]dodecanamide

C21H34N2O3 — CID 3536495

IUPACN-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]dodecanamide
SMILESCCCCCCCCCCCC(=O)NN=Cc1cccc(OCC)c1O
InChIInChI=1S/C21H34N2O3/c1-3-5-6-7-8-9-10-11-12-16-20(24)23-22-17-18-14-13-15-19(21(18)25)26-4-2/h13-15,17,25H,3-12,16H2,1-2H3,(H,23,24)
InChIKeyKVWIRWKTEMHLQP-UHFFFAOYSA-N
MW362.51 g/mol
LogP5.16
Rot. Bonds14

About N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]dodecanamide

N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]dodecanamide (PubChem CID 3536495) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]dodecanamide.

Molecular Properties

Compound NameN-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]dodecanamide
PubChem CID3536495
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC NameN-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]dodecanamide
SMILESCCCCCCCCCCCC(=O)NN=Cc1cccc(OCC)c1O
InChIInChI=1S/C21H34N2O3/c1-3-5-6-7-8-9-10-11-12-16-20(24)23-22-17-18-14-13-15-19(21(18)25)26-4-2/h13-15,17,25H,3-12,16H2,1-2H3,(H,23,24)
InChIKeyKVWIRWKTEMHLQP-UHFFFAOYSA-N
XLogP5.16
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]nonanamide
CID 135533696
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]decanamide
CID 4127873
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]hexanamide
CID 135458849
N-[(Z)-(2-ethoxyphenyl)methylideneamino]pentanamide
CID 5381098
methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
CID 2643022
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 51060625
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide
CID 51060988
N-[(2-hydroxyphenyl)methylideneamino]octanamide
CID 3393777
N-[(2-hydroxyphenyl)methylideneamino]undecanamide
CID 5053269
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]propanamide
CID 135641898
N-[[5-ethoxy-2-hydroxy-3-[(tridecanoylhydrazinylidene)methyl]phenyl]methylideneamino]tridecanamide
CID 4208648
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 136720788

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]dodecanamide?
The IUPAC name of N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]dodecanamide (CID 3536495) is N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]dodecanamide.
What is the SMILES notation for N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]dodecanamide?
The canonical SMILES for N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]dodecanamide is CCCCCCCCCCCC(=O)NN=Cc1cccc(OCC)c1O.
What is the InChIKey of N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]dodecanamide?
The InChIKey is KVWIRWKTEMHLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-3-5-6-7-8-9-10-11-12-16-20(24)23-22-17-18-14-13-15-19(21(18)25)26-4-2/h13-15,17,25H,3-12,16H2,1-2H3,(H,23,24).
What are the key properties of N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]dodecanamide?
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]dodecanamide has a molecular weight of 362.51 g/mol, XLogP of 5.16, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]dodecanamide is sourced from PubChem (CID 3536495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).