N-[(E)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]pentanamide

C21H26N2O4 — CID 110506799

IUPACN-[(E)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C/c1cc(OC)c(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C21H26N2O4/c1-4-5-11-20(24)23-22-14-17-12-18(25-2)21(19(13-17)26-3)27-15-16-9-7-6-8-10-16/h6-10,12-14H,4-5,11,15H2,1-3H3,(H,23,24)/b22-14+
InChIKeyNULPHLUAVVYZOC-HYARGMPZSA-N
MW370.45 g/mol
LogP3.92
Rot. Bonds10

About N-[(E)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]pentanamide

N-[(E)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]pentanamide (PubChem CID 110506799) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(E)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]pentanamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]pentanamide
PubChem CID110506799
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[(E)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C/c1cc(OC)c(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C21H26N2O4/c1-4-5-11-20(24)23-22-14-17-12-18(25-2)21(19(13-17)26-3)27-15-16-9-7-6-8-10-16/h6-10,12-14H,4-5,11,15H2,1-3H3,(H,23,24)/b22-14+
InChIKeyNULPHLUAVVYZOC-HYARGMPZSA-N
XLogP3.92
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide
CID 59185880
N-[(Z)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]-3-methylbutanamide
CID 9396743
2-amino-N-[(Z)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 110512033
N-benzyl-N'-[(3,4,5-trimethoxyphenyl)methylideneamino]butanediamide
CID 3813231
N-[(E)-[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 126210731
N-[(Z)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 9392431
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pentanamide
CID 5381106
N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]pentanamide
CID 110506854
N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-3-phenylpropanamide
CID 6874166
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]hexanediamide
CID 6152520
N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 3861652
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
CID 6302563

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]pentanamide?
The IUPAC name of N-[(E)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]pentanamide (CID 110506799) is N-[(E)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]pentanamide.
What is the SMILES notation for N-[(E)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]pentanamide?
The canonical SMILES for N-[(E)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]pentanamide is CCCCC(=O)N/N=C/c1cc(OC)c(OCc2ccccc2)c(OC)c1.
What is the InChIKey of N-[(E)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]pentanamide?
The InChIKey is NULPHLUAVVYZOC-HYARGMPZSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-4-5-11-20(24)23-22-14-17-12-18(25-2)21(19(13-17)26-3)27-15-16-9-7-6-8-10-16/h6-10,12-14H,4-5,11,15H2,1-3H3,(H,23,24)/b22-14+.
What are the key properties of N-[(E)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]pentanamide?
N-[(E)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]pentanamide has a molecular weight of 370.45 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]pentanamide is sourced from PubChem (CID 110506799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).