(2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide

C24H33N3O2 — CID 136742632

IUPAC(2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c(O)c1
InChIInChI=1S/C24H33N3O2/c1-6-27(7-2)22-13-12-21(23(28)15-22)16-25-26-24(29)18(5)20-10-8-19(9-11-20)14-17(3)4/h8-13,15-18,28H,6-7,14H2,1-5H3,(H,26,29)/b25-16-/t18-/m1/s1
InChIKeyAQOBLZJDYDAAOZ-NAHYFOQLSA-N
MW395.55 g/mol
LogP4.69
Rot. Bonds9

About (2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide

(2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 136742632) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is (2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID136742632
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name(2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c(O)c1
InChIInChI=1S/C24H33N3O2/c1-6-27(7-2)22-13-12-21(23(28)15-22)16-25-26-24(29)18(5)20-10-8-19(9-11-20)14-17(3)4/h8-13,15-18,28H,6-7,14H2,1-5H3,(H,26,29)/b25-16-/t18-/m1/s1
InChIKeyAQOBLZJDYDAAOZ-NAHYFOQLSA-N
XLogP4.69
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.69
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 135764403
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 135400268
(2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 136742633
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2862510
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 136765232
(1R)-2,2-dichloro-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-1-methylcyclopropane-1-carboxamide
CID 135958110
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 135716815
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide
CID 135472599
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide
CID 135642474
2-(4-butan-2-ylphenoxy)-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135678450
(1S)-2,2-dibromo-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-1-methylcyclopropane-1-carboxamide
CID 135867498
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 136721213

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of (2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 136742632) is (2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for (2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for (2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide is CCN(CC)c1ccc(/C=N\NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c(O)c1.
What is the InChIKey of (2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is AQOBLZJDYDAAOZ-NAHYFOQLSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-6-27(7-2)22-13-12-21(23(28)15-22)16-25-26-24(29)18(5)20-10-8-19(9-11-20)14-17(3)4/h8-13,15-18,28H,6-7,14H2,1-5H3,(H,26,29)/b25-16-/t18-/m1/s1.
What are the key properties of (2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide?
(2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 395.55 g/mol, XLogP of 4.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 136742632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).