2-(4-tert-butylphenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide

C21H27N3O2 — CID 6368055

IUPAC2-(4-tert-butylphenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
SMILESCN(C)c1ccc(/C=N\NC(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H27N3O2/c1-21(2,3)17-8-12-19(13-9-17)26-15-20(25)23-22-14-16-6-10-18(11-7-16)24(4)5/h6-14H,15H2,1-5H3,(H,23,25)/b22-14-
InChIKeyXMYIELKPSPEEFW-HMAPJEAMSA-N
MW353.47 g/mol
LogP3.58
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide

2-(4-tert-butylphenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide (PubChem CID 6368055) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
PubChem CID6368055
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-(4-tert-butylphenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
SMILESCN(C)c1ccc(/C=N\NC(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H27N3O2/c1-21(2,3)17-8-12-19(13-9-17)26-15-20(25)23-22-14-16-6-10-18(11-7-16)24(4)5/h6-14H,15H2,1-5H3,(H,23,25)/b22-14-
InChIKeyXMYIELKPSPEEFW-HMAPJEAMSA-N
XLogP3.58
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.58
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

2-(4-tert-butylphenoxy)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 19173269
2-(4-tert-butylphenoxy)-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]acetamide
CID 6901085
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 5416713
2-(4-tert-butylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 2353273
2-(4-tert-butylphenoxy)-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 5419819
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 909373
2-(4-tert-butylphenoxy)-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]acetamide
CID 6141982
2-(4-tert-butylphenoxy)-N-[(E)-(3,4-difluorophenyl)methylideneamino]acetamide
CID 6901833
2-(4-tert-butylphenoxy)-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide
CID 135643849
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
2-(4-tert-butylphenoxy)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 2305878
[4-[(Z)-[[2-(4-tert-butylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 31087564

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide (CID 6368055) is 2-(4-tert-butylphenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide is CN(C)c1ccc(/C=N\NC(=O)COc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide?
The InChIKey is XMYIELKPSPEEFW-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-21(2,3)17-8-12-19(13-9-17)26-15-20(25)23-22-14-16-6-10-18(11-7-16)24(4)5/h6-14H,15H2,1-5H3,(H,23,25)/b22-14-.
What are the key properties of 2-(4-tert-butylphenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide?
2-(4-tert-butylphenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 6368055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).