N-[(3-methoxyphenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide

C24H32N2O3 — CID 2195671

IUPACN-[(3-methoxyphenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
SMILESCOc1cccc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c1
InChIInChI=1S/C24H32N2O3/c1-23(2,3)17-24(4,5)19-10-12-20(13-11-19)29-16-22(27)26-25-15-18-8-7-9-21(14-18)28-6/h7-15H,16-17H2,1-6H3,(H,26,27)
InChIKeyQGXSELONHRTVHX-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.94
Rot. Bonds8

About N-[(3-methoxyphenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide

N-[(3-methoxyphenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide (PubChem CID 2195671) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
PubChem CID2195671
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-[(3-methoxyphenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
SMILESCOc1cccc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c1
InChIInChI=1S/C24H32N2O3/c1-23(2,3)17-24(4,5)19-10-12-20(13-11-19)29-16-22(27)26-25-15-18-8-7-9-21(14-18)28-6/h7-15H,16-17H2,1-6H3,(H,26,27)
InChIKeyQGXSELONHRTVHX-UHFFFAOYSA-N
XLogP4.94
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(3-chlorophenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 5194764
N-[(3-chloro-4-methoxyphenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 3098172
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 5420715
N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 19190408
N-[(E)-(4-butoxyphenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 6298217
4-[[[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetyl]hydrazinylidene]methyl]benzoate
CID 4592923
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenoxy)acetamide
CID 19208653
[2-methoxy-4-[(Z)-[[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6103011
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 7039350
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 5393352
N-[(Z)-thiophen-2-ylmethylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 6058187
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 5419197

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide (CID 2195671) is N-[(3-methoxyphenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide is COc1cccc(C=NNC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?
The InChIKey is QGXSELONHRTVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-23(2,3)17-24(4,5)19-10-12-20(13-11-19)29-16-22(27)26-25-15-18-8-7-9-21(14-18)28-6/h7-15H,16-17H2,1-6H3,(H,26,27).
What are the key properties of N-[(3-methoxyphenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?
N-[(3-methoxyphenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide has a molecular weight of 396.53 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 2195671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).