(2R)-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide

C19H22N2O2 — CID 5397085

IUPAC(2R)-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
SMILESCCc1ccc(/C=N\NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O2/c1-4-16-8-10-17(11-9-16)13-20-21-19(22)15(3)23-18-7-5-6-14(2)12-18/h5-13,15H,4H2,1-3H3,(H,21,22)/b20-13-/t15-/m1/s1
InChIKeyHCGWWRLUJARSOV-CTFRJJSNSA-N
MW310.40 g/mol
LogP3.48
Rot. Bonds6

About (2R)-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide

(2R)-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide (PubChem CID 5397085) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2R)-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
PubChem CID5397085
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2R)-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
SMILESCCc1ccc(/C=N\NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1
InChIInChI=1S/C19H22N2O2/c1-4-16-8-10-17(11-9-16)13-20-21-19(22)15(3)23-18-7-5-6-14(2)12-18/h5-13,15H,4H2,1-3H3,(H,21,22)/b20-13-/t15-/m1/s1
InChIKeyHCGWWRLUJARSOV-CTFRJJSNSA-N
XLogP3.48
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.48
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

N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 135886344
(2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 727867
2-(4-ethylphenoxy)-N-[(3-phenoxyphenyl)methylideneamino]propanamide
CID 19172252
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 19170462
N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939949
(2S)-2-(3-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135784407
(2R)-2-(3-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135784413
(2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenoxypropanamide
CID 135603975
methyl 4-[[2-(3-chlorophenoxy)propanoylhydrazinylidene]methyl]benzoate
CID 3636743
methyl 4-[(Z)-[[(2S)-2-(3-chlorophenoxy)propanoyl]hydrazinylidene]methyl]benzoate
CID 40542975
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 135604305
(2S)-2-(3-chlorophenoxy)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 26972495

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide (CID 5397085) is (2R)-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide is CCc1ccc(/C=N\NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1.
What is the InChIKey of (2R)-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide?
The InChIKey is HCGWWRLUJARSOV-CTFRJJSNSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-16-8-10-17(11-9-16)13-20-21-19(22)15(3)23-18-7-5-6-14(2)12-18/h5-13,15H,4H2,1-3H3,(H,21,22)/b20-13-/t15-/m1/s1.
What are the key properties of (2R)-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide?
(2R)-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide has a molecular weight of 310.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 5397085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).