N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-3-phenylpropanamide

C22H28N2O3 — CID 6874166

IUPACN-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-3-phenylpropanamide
SMILESCCCCCOc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1OC
InChIInChI=1S/C22H28N2O3/c1-3-4-8-15-27-20-13-11-19(16-21(20)26-2)17-23-24-22(25)14-12-18-9-6-5-7-10-18/h5-7,9-11,13,16-17H,3-4,8,12,14-15H2,1-2H3,(H,24,25)/b23-17+
InChIKeyBSVMPAZHDGHTHV-HAVVHWLPSA-N
MW368.48 g/mol
LogP4.35
Rot. Bonds11

About N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-3-phenylpropanamide

N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-3-phenylpropanamide (PubChem CID 6874166) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-3-phenylpropanamide
PubChem CID6874166
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-3-phenylpropanamide
SMILESCCCCCOc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1OC
InChIInChI=1S/C22H28N2O3/c1-3-4-8-15-27-20-13-11-19(16-21(20)26-2)17-23-24-22(25)14-12-18-9-6-5-7-10-18/h5-7,9-11,13,16-17H,3-4,8,12,14-15H2,1-2H3,(H,24,25)/b23-17+
InChIKeyBSVMPAZHDGHTHV-HAVVHWLPSA-N
XLogP4.35
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-phenylpropanamide
CID 126126513
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pentanamide
CID 5381106
N-[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 110515387
4-butyl-N-[(E)-(3-methoxy-4-octoxyphenyl)methylideneamino]benzamide
CID 124551504
[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110536766
[(4-hexoxy-3-methoxyphenyl)methylideneamino]urea
CID 84903812
[(E)-(4-hexadecoxy-3-methoxyphenyl)methylideneamino]urea
CID 10812700
methyl N-[(Z)-(4-butoxy-3-methoxyphenyl)methylideneamino]carbamate
CID 9075566
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 6018005
2-(2-bromo-4-phenylphenoxy)-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19190081
N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide
CID 19182762
4-(4-chloro-2-methylphenoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]butanamide
CID 4176982

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-3-phenylpropanamide?
The IUPAC name of N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-3-phenylpropanamide (CID 6874166) is N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-3-phenylpropanamide.
What is the SMILES notation for N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-3-phenylpropanamide?
The canonical SMILES for N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-3-phenylpropanamide is CCCCCOc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1OC.
What is the InChIKey of N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-3-phenylpropanamide?
The InChIKey is BSVMPAZHDGHTHV-HAVVHWLPSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-3-4-8-15-27-20-13-11-19(16-21(20)26-2)17-23-24-22(25)14-12-18-9-6-5-7-10-18/h5-7,9-11,13,16-17H,3-4,8,12,14-15H2,1-2H3,(H,24,25)/b23-17+.
What are the key properties of N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-3-phenylpropanamide?
N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-3-phenylpropanamide has a molecular weight of 368.48 g/mol, XLogP of 4.35, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-3-phenylpropanamide is sourced from PubChem (CID 6874166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).