(2S)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide

C21H20N2O3 — CID 175678290

IUPAC(2S)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)N/N=C/c3ccc(O)cc3)ccc2c1
InChIInChI=1S/C21H20N2O3/c1-14(21(25)23-22-13-15-3-8-19(24)9-4-15)16-5-6-18-12-20(26-2)10-7-17(18)11-16/h3-14,24H,1-2H3,(H,23,25)/b22-13+/t14-/m0/s1
InChIKeyJCJOJVRWPZKRCE-KOUDTOEKSA-N
MW348.40 g/mol
LogP3.81
Rot. Bonds5

About (2S)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide

(2S)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 175678290) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (2S)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID175678290
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(2S)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)N/N=C/c3ccc(O)cc3)ccc2c1
InChIInChI=1S/C21H20N2O3/c1-14(21(25)23-22-13-15-3-8-19(24)9-4-15)16-5-6-18-12-20(26-2)10-7-17(18)11-16/h3-14,24H,1-2H3,(H,23,25)/b22-13+/t14-/m0/s1
InChIKeyJCJOJVRWPZKRCE-KOUDTOEKSA-N
XLogP3.81
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

(2S)-N-[(E)-(4-chlorophenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 175678405
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 17389126
(2S)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 29039173
(2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 136662783
(2R)-N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 135955331
2-(6-methoxynaphthalen-2-yl)-N-[(E)-[4-[(E)-[2-(6-methoxynaphthalen-2-yl)propanoylhydrazinylidene]methyl]-2,5-bis(methylsulfanyl)thiophen-3-yl]methylideneamino]propanamide
CID 17389127
(2R)-N-[(4-methoxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 793131
(2R)-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 136742633
N-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 3693405
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
2-(6-methoxynaphthalen-2-yl)-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]propanamide
CID 135606153
N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 75202299

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of (2S)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide (CID 175678290) is (2S)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for (2S)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for (2S)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide is COc1ccc2cc([C@H](C)C(=O)N/N=C/c3ccc(O)cc3)ccc2c1.
What is the InChIKey of (2S)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is JCJOJVRWPZKRCE-KOUDTOEKSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14(21(25)23-22-13-15-3-8-19(24)9-4-15)16-5-6-18-12-20(26-2)10-7-17(18)11-16/h3-14,24H,1-2H3,(H,23,25)/b22-13+/t14-/m0/s1.
What are the key properties of (2S)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide?
(2S)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 348.40 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 175678290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).