N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)iminomethyl]hexanamide

C21H26N2O3 — CID 4863344

IUPACN-(4-methoxyphenyl)-N-[(4-methoxyphenyl)iminomethyl]hexanamide
SMILESCCCCCC(=O)N(/C=N/c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C21H26N2O3/c1-4-5-6-7-21(24)23(18-10-14-20(26-3)15-11-18)16-22-17-8-12-19(25-2)13-9-17/h8-16H,4-7H2,1-3H3/b22-16+
InChIKeySSYRCVJOWLPQJP-CJLVFECKSA-N
MW354.45 g/mol
LogP4.98
Rot. Bonds9

About N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)iminomethyl]hexanamide

N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)iminomethyl]hexanamide (PubChem CID 4863344) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)iminomethyl]hexanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-[(4-methoxyphenyl)iminomethyl]hexanamide
PubChem CID4863344
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(4-methoxyphenyl)-N-[(4-methoxyphenyl)iminomethyl]hexanamide
SMILESCCCCCC(=O)N(/C=N/c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C21H26N2O3/c1-4-5-6-7-21(24)23(18-10-14-20(26-3)15-11-18)16-22-17-8-12-19(25-2)13-9-17/h8-16H,4-7H2,1-3H3/b22-16+
InChIKeySSYRCVJOWLPQJP-CJLVFECKSA-N
XLogP4.98
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-(4-methoxyphenyl)hexanamide
CID 60594646
1,4-dimethoxybenzene;octan-3-one
CID 174621330
2-(4-methoxyphenyl)iminoacetate
CID 22600240
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
3-[(4-methoxyphenyl)methylidene]octan-2-one
CID 68526901
4-hydroxy-N-(4-methoxyphenyl)-N-methylbutanamide
CID 79191908
N-[2-(4-methoxyanilino)-2-oxoethyl]nonanamide
CID 5172800
N-[(4-methoxyphenyl)methylideneamino]nonanamide
CID 4175341
1-(4-methoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 102149823
2-[(4-methoxyphenyl)methylidene]octanoic acid
CID 67426612
2-(4-methoxyphenyl)iminoacetic acid
CID 21289850

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)iminomethyl]hexanamide?
The IUPAC name of N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)iminomethyl]hexanamide (CID 4863344) is N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)iminomethyl]hexanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)iminomethyl]hexanamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)iminomethyl]hexanamide is CCCCCC(=O)N(/C=N/c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)iminomethyl]hexanamide?
The InChIKey is SSYRCVJOWLPQJP-CJLVFECKSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-5-6-7-21(24)23(18-10-14-20(26-3)15-11-18)16-22-17-8-12-19(25-2)13-9-17/h8-16H,4-7H2,1-3H3/b22-16+.
What are the key properties of N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)iminomethyl]hexanamide?
N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)iminomethyl]hexanamide has a molecular weight of 354.45 g/mol, XLogP of 4.98, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)iminomethyl]hexanamide is sourced from PubChem (CID 4863344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).