(2R)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-iodoanilino)propanamide

C19H20IN3O2 — CID 135868056

IUPAC(2R)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-iodoanilino)propanamide
SMILESC=CCc1cccc(/C=N\NC(=O)[C@@H](C)Nc2ccc(I)cc2)c1O
InChIInChI=1S/C19H20IN3O2/c1-3-5-14-6-4-7-15(18(14)24)12-21-23-19(25)13(2)22-17-10-8-16(20)9-11-17/h3-4,6-13,22,24H,1,5H2,2H3,(H,23,25)/b21-12-/t13-/m1/s1
InChIKeyRUGRLYIRDSSIHN-MUBJSKCLSA-N
MW449.29 g/mol
LogP3.68
Rot. Bonds7

About (2R)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-iodoanilino)propanamide

(2R)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-iodoanilino)propanamide (PubChem CID 135868056) has the molecular formula C19H20IN3O2 and a molecular weight of 449.29 g/mol. Its IUPAC name is (2R)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-iodoanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-iodoanilino)propanamide
PubChem CID135868056
Molecular FormulaC19H20IN3O2
Molecular Weight449.29 g/mol
Exact Mass449.06
IUPAC Name(2R)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-iodoanilino)propanamide
SMILESC=CCc1cccc(/C=N\NC(=O)[C@@H](C)Nc2ccc(I)cc2)c1O
InChIInChI=1S/C19H20IN3O2/c1-3-5-14-6-4-7-15(18(14)24)12-21-23-19(25)13(2)22-17-10-8-16(20)9-11-17/h3-4,6-13,22,24H,1,5H2,2H3,(H,23,25)/b21-12-/t13-/m1/s1
InChIKeyRUGRLYIRDSSIHN-MUBJSKCLSA-N
XLogP3.68
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.29
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-iodo-3-methylanilino)propanamide
CID 4208582
N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 135679097
2-hydroxy-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 135715804
2-(4-chlorophenoxy)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide
CID 135685222
(2S)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 136849957
(2S)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(2-methylanilino)butanamide
CID 136670370
2-anilino-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135490294
N-(4-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]oxamide
CID 136822704
2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135821532
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 5055270
(2R)-2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 136705939
2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135782013

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-iodoanilino)propanamide?
The IUPAC name of (2R)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-iodoanilino)propanamide (CID 135868056) is (2R)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-iodoanilino)propanamide.
What is the SMILES notation for (2R)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-iodoanilino)propanamide?
The canonical SMILES for (2R)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-iodoanilino)propanamide is C=CCc1cccc(/C=N\NC(=O)[C@@H](C)Nc2ccc(I)cc2)c1O.
What is the InChIKey of (2R)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-iodoanilino)propanamide?
The InChIKey is RUGRLYIRDSSIHN-MUBJSKCLSA-N. The full InChI is InChI=1S/C19H20IN3O2/c1-3-5-14-6-4-7-15(18(14)24)12-21-23-19(25)13(2)22-17-10-8-16(20)9-11-17/h3-4,6-13,22,24H,1,5H2,2H3,(H,23,25)/b21-12-/t13-/m1/s1.
What are the key properties of (2R)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-iodoanilino)propanamide?
(2R)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-iodoanilino)propanamide has a molecular weight of 449.29 g/mol, XLogP of 3.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-iodoanilino)propanamide is sourced from PubChem (CID 135868056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).