(2R)-2-(4-ethoxyanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]butanamide

C19H23N3O3 — CID 135850820

IUPAC(2R)-2-(4-ethoxyanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]butanamide
SMILESCCOc1ccc(N[C@H](CC)C(=O)N/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C19H23N3O3/c1-3-18(21-15-7-11-17(12-8-15)25-4-2)19(24)22-20-13-14-5-9-16(23)10-6-14/h5-13,18,21,23H,3-4H2,1-2H3,(H,22,24)/b20-13+/t18-/m1/s1
InChIKeyXDORCZRYXWMATO-JZQBQCRLSA-N
MW341.41 g/mol
LogP3.13
Rot. Bonds8

About (2R)-2-(4-ethoxyanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]butanamide

(2R)-2-(4-ethoxyanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]butanamide (PubChem CID 135850820) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2R)-2-(4-ethoxyanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name(2R)-2-(4-ethoxyanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]butanamide
PubChem CID135850820
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(2R)-2-(4-ethoxyanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]butanamide
SMILESCCOc1ccc(N[C@H](CC)C(=O)N/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C19H23N3O3/c1-3-18(21-15-7-11-17(12-8-15)25-4-2)19(24)22-20-13-14-5-9-16(23)10-6-14/h5-13,18,21,23H,3-4H2,1-2H3,(H,22,24)/b20-13+/t18-/m1/s1
InChIKeyXDORCZRYXWMATO-JZQBQCRLSA-N
XLogP3.13
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxyanilino)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide
CID 135782084
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
(2R)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)butanamide
CID 135764507
(2S)-2-(4-bromoanilino)-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]butanamide
CID 136861871
4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135849467
(2S)-2-(4-ethoxyanilino)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 136705964
methane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate
CID 18532072
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane
CID 18532062
N-(4-butoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 135821329
2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 3562472
(2R)-2-anilino-N-[(3,4-dimethoxyphenyl)methylideneamino]butanamide
CID 770506

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethoxyanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]butanamide?
The IUPAC name of (2R)-2-(4-ethoxyanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]butanamide (CID 135850820) is (2R)-2-(4-ethoxyanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]butanamide.
What is the SMILES notation for (2R)-2-(4-ethoxyanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]butanamide?
The canonical SMILES for (2R)-2-(4-ethoxyanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]butanamide is CCOc1ccc(N[C@H](CC)C(=O)N/N=C/c2ccc(O)cc2)cc1.
What is the InChIKey of (2R)-2-(4-ethoxyanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]butanamide?
The InChIKey is XDORCZRYXWMATO-JZQBQCRLSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-18(21-15-7-11-17(12-8-15)25-4-2)19(24)22-20-13-14-5-9-16(23)10-6-14/h5-13,18,21,23H,3-4H2,1-2H3,(H,22,24)/b20-13+/t18-/m1/s1.
What are the key properties of (2R)-2-(4-ethoxyanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]butanamide?
(2R)-2-(4-ethoxyanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]butanamide has a molecular weight of 341.41 g/mol, XLogP of 3.13, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethoxyanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]butanamide is sourced from PubChem (CID 135850820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).