N-[(Z)-(4-butoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide

C22H26N2O3 — CID 6111873

IUPACN-[(Z)-(4-butoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccccc1OCC(=O)N/N=C\c1ccc(OCCCC)cc1
InChIInChI=1S/C22H26N2O3/c1-3-5-15-26-20-13-11-18(12-14-20)16-23-24-22(25)17-27-21-10-7-6-9-19(21)8-4-2/h4,6-7,9-14,16H,2-3,5,8,15,17H2,1H3,(H,24,25)/b23-16-
InChIKeySYSSQNAGCUBVRD-KQWNVCNZSA-N
MW366.46 g/mol
LogP4.12
Rot. Bonds11

About N-[(Z)-(4-butoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide

N-[(Z)-(4-butoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide (PubChem CID 6111873) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(Z)-(4-butoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-butoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
PubChem CID6111873
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[(Z)-(4-butoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccccc1OCC(=O)N/N=C\c1ccc(OCCCC)cc1
InChIInChI=1S/C22H26N2O3/c1-3-5-15-26-20-13-11-18(12-14-20)16-23-24-22(25)17-27-21-10-7-6-9-19(21)8-4-2/h4,6-7,9-14,16H,2-3,5,8,15,17H2,1H3,(H,24,25)/b23-16-
InChIKeySYSSQNAGCUBVRD-KQWNVCNZSA-N
XLogP4.12
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.12
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
CID 19182513
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 3601208
N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide
CID 5334518
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[(E)-(4-pentoxyphenyl)methylideneamino]acetamide
CID 19577478
N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide
CID 46501793
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 136829892
[2-ethoxy-4-[[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 4079308
2-(4-butoxyphenoxy)-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 6265120
2-(4-butoxyphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5081383
2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 3562472
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 3628183
2-(2-prop-2-enylphenoxy)-N-(pyridin-3-ylmethylideneamino)acetamide
CID 935509

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-butoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-[(Z)-(4-butoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide (CID 6111873) is N-[(Z)-(4-butoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(4-butoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(4-butoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide is C=CCc1ccccc1OCC(=O)N/N=C\c1ccc(OCCCC)cc1.
What is the InChIKey of N-[(Z)-(4-butoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide?
The InChIKey is SYSSQNAGCUBVRD-KQWNVCNZSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-5-15-26-20-13-11-18(12-14-20)16-23-24-22(25)17-27-21-10-7-6-9-19(21)8-4-2/h4,6-7,9-14,16H,2-3,5,8,15,17H2,1H3,(H,24,25)/b23-16-.
What are the key properties of N-[(Z)-(4-butoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide?
N-[(Z)-(4-butoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide has a molecular weight of 366.46 g/mol, XLogP of 4.12, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-butoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 6111873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).