(2R)-N-(4-chlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxypropanamide

C20H23ClN2O4 — CID 7700436

IUPAC(2R)-N-(4-chlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxypropanamide
SMILESCOc1cc(/C=N\O[C@H](C)C(=O)Nc2ccc(Cl)cc2)ccc1OC(C)C
InChIInChI=1S/C20H23ClN2O4/c1-13(2)26-18-10-5-15(11-19(18)25-4)12-22-27-14(3)20(24)23-17-8-6-16(21)7-9-17/h5-14H,1-4H3,(H,23,24)/b22-12-/t14-/m1/s1
InChIKeyTYYDPRSUSOQAIU-JCRYTKJOSA-N
MW390.87 g/mol
LogP4.51
Rot. Bonds8

About (2R)-N-(4-chlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxypropanamide

(2R)-N-(4-chlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxypropanamide (PubChem CID 7700436) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is (2R)-N-(4-chlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxypropanamide.

Molecular Properties

Compound Name(2R)-N-(4-chlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxypropanamide
PubChem CID7700436
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name(2R)-N-(4-chlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxypropanamide
SMILESCOc1cc(/C=N\O[C@H](C)C(=O)Nc2ccc(Cl)cc2)ccc1OC(C)C
InChIInChI=1S/C20H23ClN2O4/c1-13(2)26-18-10-5-15(11-19(18)25-4)12-22-27-14(3)20(24)23-17-8-6-16(21)7-9-17/h5-14H,1-4H3,(H,23,24)/b22-12-/t14-/m1/s1
InChIKeyTYYDPRSUSOQAIU-JCRYTKJOSA-N
XLogP4.51
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3,4-dimethoxyphenyl)-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypropanamide
CID 24511843
(2R)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7669354
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxypropanamide
CID 7701090
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxypropanamide
CID 7701093
N-(3-chloro-4-fluorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 7700193
(2R)-2-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-(4-fluorophenyl)propanamide
CID 7703063
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 7726271
(2R)-N-(4-chlorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide
CID 7670002
N-(2,5-dichlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 7700247
4-chloro-N-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110506176
(4-chlorophenyl) (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 19180914
methyl 4-[[2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxyacetyl]amino]benzoate
CID 7700304

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxypropanamide?
The IUPAC name of (2R)-N-(4-chlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxypropanamide (CID 7700436) is (2R)-N-(4-chlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxypropanamide.
What is the SMILES notation for (2R)-N-(4-chlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxypropanamide?
The canonical SMILES for (2R)-N-(4-chlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxypropanamide is COc1cc(/C=N\O[C@H](C)C(=O)Nc2ccc(Cl)cc2)ccc1OC(C)C.
What is the InChIKey of (2R)-N-(4-chlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxypropanamide?
The InChIKey is TYYDPRSUSOQAIU-JCRYTKJOSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-13(2)26-18-10-5-15(11-19(18)25-4)12-22-27-14(3)20(24)23-17-8-6-16(21)7-9-17/h5-14H,1-4H3,(H,23,24)/b22-12-/t14-/m1/s1.
What are the key properties of (2R)-N-(4-chlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxypropanamide?
(2R)-N-(4-chlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxypropanamide has a molecular weight of 390.87 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxypropanamide is sourced from PubChem (CID 7700436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).