2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(2,4,6-trimethylphenyl)propanamide

C26H29N3O3 — CID 72691935

IUPAC2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)ON=C(N)c2ccc(OCc3ccccc3)cc2)c(C)c1
InChIInChI=1S/C26H29N3O3/c1-17-14-18(2)24(19(3)15-17)28-26(30)20(4)32-29-25(27)22-10-12-23(13-11-22)31-16-21-8-6-5-7-9-21/h5-15,20H,16H2,1-4H3,(H2,27,29)(H,28,30)
InChIKeyDBOHYMHDQRKUKF-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.85
Rot. Bonds8

About 2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(2,4,6-trimethylphenyl)propanamide

2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 72691935) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID72691935
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)ON=C(N)c2ccc(OCc3ccccc3)cc2)c(C)c1
InChIInChI=1S/C26H29N3O3/c1-17-14-18(2)24(19(3)15-17)28-26(30)20(4)32-29-25(27)22-10-12-23(13-11-22)31-16-21-8-6-5-7-9-21/h5-15,20H,16H2,1-4H3,(H2,27,29)(H,28,30)
InChIKeyDBOHYMHDQRKUKF-UHFFFAOYSA-N
XLogP4.85
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 166375707
2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2,4,6-trimethylphenyl)propanamide
CID 55515599
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-phenylmethoxybenzoate
CID 42980224
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678823
2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 78905703
4-[[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]amino]benzamide
CID 2557704
2-[[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2,6-dimethylphenyl)propanamide
CID 76854416
(2S)-N-(4-acetylphenyl)-2-[[amino(phenyl)methylidene]amino]oxypropanamide
CID 2478819
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide
CID 7613199
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 8848255
(2S)-2-methyl-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide
CID 793462
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264252

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(2,4,6-trimethylphenyl)propanamide (CID 72691935) is 2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)C(C)ON=C(N)c2ccc(OCc3ccccc3)cc2)c(C)c1.
What is the InChIKey of 2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is DBOHYMHDQRKUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-17-14-18(2)24(19(3)15-17)28-26(30)20(4)32-29-25(27)22-10-12-23(13-11-22)31-16-21-8-6-5-7-9-21/h5-15,20H,16H2,1-4H3,(H2,27,29)(H,28,30).
What are the key properties of 2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(2,4,6-trimethylphenyl)propanamide?
2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 431.54 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 72691935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).