(2S)-2-methoxy-N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenylacetamide

C17H18N2O2 — CID 5410616

IUPAC(2S)-2-methoxy-N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenylacetamide
SMILESCO[C@H](C(=O)N/N=C\c1cccc(C)c1)c1ccccc1
InChIInChI=1S/C17H18N2O2/c1-13-7-6-8-14(11-13)12-18-19-17(20)16(21-2)15-9-4-3-5-10-15/h3-12,16H,1-2H3,(H,19,20)/b18-12-/t16-/m0/s1
InChIKeyNHHHDIVLLXHWFP-JIHKLPAASA-N
MW282.34 g/mol
LogP2.83
Rot. Bonds5

About (2S)-2-methoxy-N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenylacetamide

(2S)-2-methoxy-N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenylacetamide (PubChem CID 5410616) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2S)-2-methoxy-N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-methoxy-N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenylacetamide
PubChem CID5410616
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(2S)-2-methoxy-N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenylacetamide
SMILESCO[C@H](C(=O)N/N=C\c1cccc(C)c1)c1ccccc1
InChIInChI=1S/C17H18N2O2/c1-13-7-6-8-14(11-13)12-18-19-17(20)16(21-2)15-9-4-3-5-10-15/h3-12,16H,1-2H3,(H,19,20)/b18-12-/t16-/m0/s1
InChIKeyNHHHDIVLLXHWFP-JIHKLPAASA-N
XLogP2.83
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2R)-2-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 7317170
2-methoxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 3910742
2-methoxy-2-phenyl-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 2851057
(2R)-2-methoxy-2-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 5414338
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 68551605
(2S)-2-methoxy-2-phenyl-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 7330109
(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 5414429
2-methoxy-2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 17389304
2-methoxy-2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 6081951
(2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 136757922
[4-[[(2-methoxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 3457631
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 135537540

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of (2S)-2-methoxy-N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenylacetamide (CID 5410616) is (2S)-2-methoxy-N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-methoxy-N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-methoxy-N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenylacetamide is CO[C@H](C(=O)N/N=C\c1cccc(C)c1)c1ccccc1.
What is the InChIKey of (2S)-2-methoxy-N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is NHHHDIVLLXHWFP-JIHKLPAASA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13-7-6-8-14(11-13)12-18-19-17(20)16(21-2)15-9-4-3-5-10-15/h3-12,16H,1-2H3,(H,19,20)/b18-12-/t16-/m0/s1.
What are the key properties of (2S)-2-methoxy-N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenylacetamide?
(2S)-2-methoxy-N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenylacetamide has a molecular weight of 282.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 5410616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).