(2R)-2-(2-methoxyanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]propanamide

C23H23N3O3 — CID 40507856

IUPAC(2R)-2-(2-methoxyanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]propanamide
SMILESCOc1ccccc1N[C@H](C)C(=O)N/N=C\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H23N3O3/c1-17(25-21-13-6-7-14-22(21)28-2)23(27)26-24-16-18-9-8-12-20(15-18)29-19-10-4-3-5-11-19/h3-17,25H,1-2H3,(H,26,27)/b24-16-/t17-/m1/s1
InChIKeyMVWQKWGNOBWMNH-GIKSKMNSSA-N
MW389.46 g/mol
LogP4.44
Rot. Bonds8

About (2R)-2-(2-methoxyanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]propanamide

(2R)-2-(2-methoxyanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]propanamide (PubChem CID 40507856) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is (2R)-2-(2-methoxyanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-methoxyanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]propanamide
PubChem CID40507856
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name(2R)-2-(2-methoxyanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]propanamide
SMILESCOc1ccccc1N[C@H](C)C(=O)N/N=C\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H23N3O3/c1-17(25-21-13-6-7-14-22(21)28-2)23(27)26-24-16-18-9-8-12-20(15-18)29-19-10-4-3-5-11-19/h3-17,25H,1-2H3,(H,26,27)/b24-16-/t17-/m1/s1
InChIKeyMVWQKWGNOBWMNH-GIKSKMNSSA-N
XLogP4.44
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.44
H-Bond Donors ≤ 52
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

2-(2-methoxyanilino)-N-[(2-methoxyphenyl)methylideneamino]propanamide
CID 5212708
(2S)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-methoxyanilino)propanamide
CID 136851890
4-hydroxy-3-methoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide
CID 24818461
2-(2-methoxyanilino)-N-(thiophen-2-ylmethylideneamino)propanamide
CID 5003080
N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
2-(2-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]propanamide
CID 71960236
(2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide
CID 5413551
5-bromo-2-methoxy-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 94836303
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)propanamide
CID 135683629
(2S)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)propanamide
CID 136790489
2-(4-ethylphenoxy)-N-[(3-phenoxyphenyl)methylideneamino]propanamide
CID 19172252
N-[(2R,3R)-3-methyl-1-oxo-1-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]pentan-2-yl]benzamide
CID 129439276

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxyanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]propanamide?
The IUPAC name of (2R)-2-(2-methoxyanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]propanamide (CID 40507856) is (2R)-2-(2-methoxyanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for (2R)-2-(2-methoxyanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]propanamide?
The canonical SMILES for (2R)-2-(2-methoxyanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]propanamide is COc1ccccc1N[C@H](C)C(=O)N/N=C\c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (2R)-2-(2-methoxyanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]propanamide?
The InChIKey is MVWQKWGNOBWMNH-GIKSKMNSSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-17(25-21-13-6-7-14-22(21)28-2)23(27)26-24-16-18-9-8-12-20(15-18)29-19-10-4-3-5-11-19/h3-17,25H,1-2H3,(H,26,27)/b24-16-/t17-/m1/s1.
What are the key properties of (2R)-2-(2-methoxyanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]propanamide?
(2R)-2-(2-methoxyanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]propanamide has a molecular weight of 389.46 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxyanilino)-N-[(Z)-(3-phenoxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 40507856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).