(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide

C24H26N2O3 — CID 136794166

IUPAC(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)cc1O[C@H](C)C(=O)N/N=C\c1c(O)ccc2ccccc12
InChIInChI=1S/C24H26N2O3/c1-15(2)19-10-9-16(3)23(13-19)29-17(4)24(28)26-25-14-21-20-8-6-5-7-18(20)11-12-22(21)27/h5-15,17,27H,1-4H3,(H,26,28)/b25-14-/t17-/m1/s1
InChIKeyQDQXMZMWQUNAML-YMKHCOABSA-N
MW390.48 g/mol
LogP4.89
Rot. Bonds6

About (2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide

(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide (PubChem CID 136794166) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is (2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
PubChem CID136794166
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)cc1O[C@H](C)C(=O)N/N=C\c1c(O)ccc2ccccc12
InChIInChI=1S/C24H26N2O3/c1-15(2)19-10-9-16(3)23(13-19)29-17(4)24(28)26-25-14-21-20-8-6-5-7-18(20)11-12-22(21)27/h5-15,17,27H,1-4H3,(H,26,28)/b25-14-/t17-/m1/s1
InChIKeyQDQXMZMWQUNAML-YMKHCOABSA-N
XLogP4.89
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.89
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

N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 136794200
2-(2-bromo-4-methylphenoxy)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 135412132
(2S)-N-[(Z)-(3-bromophenyl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
CID 7039261
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-nitrophenyl)methylideneamino]propanamide
CID 5123615
(2R)-2-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetamide
CID 135832660
(2S)-2-(2-methyl-5-propan-2-ylphenoxy)-N-[[(Z)-3-phenylprop-2-enylidene]amino]propanamide
CID 129437604
(2S)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methylanilino)propanamide
CID 136851955
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide
CID 135679666
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
(2R)-N-[(Z)-naphthalen-2-ylmethylideneamino]-2-naphthalen-1-yloxypropanamide
CID 7039270
methyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 135588910
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)propanamide
CID 135683629

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide (CID 136794166) is (2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide is Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N/N=C\c1c(O)ccc2ccccc12.
What is the InChIKey of (2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide?
The InChIKey is QDQXMZMWQUNAML-YMKHCOABSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-15(2)19-10-9-16(3)23(13-19)29-17(4)24(28)26-25-14-21-20-8-6-5-7-18(20)11-12-22(21)27/h5-15,17,27H,1-4H3,(H,26,28)/b25-14-/t17-/m1/s1.
What are the key properties of (2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide?
(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide has a molecular weight of 390.48 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 136794166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).