2-methoxy-2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide

C19H22N2O3 — CID 6081951

IUPAC2-methoxy-2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
SMILESCOC(C(=O)N/N=C/c1ccc(OC(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14(2)24-17-11-9-15(10-12-17)13-20-21-19(22)18(23-3)16-7-5-4-6-8-16/h4-14,18H,1-3H3,(H,21,22)/b20-13+
InChIKeyAEFHGVFZGFJGNX-DEDYPNTBSA-N
MW326.40 g/mol
LogP3.31
Rot. Bonds7

About 2-methoxy-2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide

2-methoxy-2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide (PubChem CID 6081951) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-methoxy-2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-methoxy-2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
PubChem CID6081951
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-methoxy-2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
SMILESCOC(C(=O)N/N=C/c1ccc(OC(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14(2)24-17-11-9-15(10-12-17)13-20-21-19(22)18(23-3)16-7-5-4-6-8-16/h4-14,18H,1-3H3,(H,21,22)/b20-13+
InChIKeyAEFHGVFZGFJGNX-DEDYPNTBSA-N
XLogP3.31
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.31
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

(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 5414429
[4-[[(2-methoxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 3457631
N-[(E)-(4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 6873111
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 68551605
(2S)-2-methoxy-N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenylacetamide
CID 5410616
2-methoxy-2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 17389304
(2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 136757922
(2R)-2-methoxy-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 1104562
(2R)-2-hydroxy-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 40516770
2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110505830
2-methoxy-2-phenyl-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 2851057
2-methoxy-N-[(E)-(2-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 5334215

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-methoxy-2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide (CID 6081951) is 2-methoxy-2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-methoxy-2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-methoxy-2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide is COC(C(=O)N/N=C/c1ccc(OC(C)C)cc1)c1ccccc1.
What is the InChIKey of 2-methoxy-2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide?
The InChIKey is AEFHGVFZGFJGNX-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(2)24-17-11-9-15(10-12-17)13-20-21-19(22)18(23-3)16-7-5-4-6-8-16/h4-14,18H,1-3H3,(H,21,22)/b20-13+.
What are the key properties of 2-methoxy-2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide?
2-methoxy-2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide has a molecular weight of 326.40 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6081951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).