(2S)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide

C23H22N2O3 — CID 136849957

IUPAC(2S)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
SMILESC=CCc1cccc(/C=N\NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1O
InChIInChI=1S/C23H22N2O3/c1-3-7-18-10-6-11-20(22(18)26)15-24-25-23(27)16(2)28-21-13-12-17-8-4-5-9-19(17)14-21/h3-6,8-16,26H,1,7H2,2H3,(H,25,27)/b24-15-/t16-/m0/s1
InChIKeyQVWWXTZNDHBEBM-PHQOBFFQSA-N
MW374.44 g/mol
LogP4.19
Rot. Bonds7

About (2S)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide

(2S)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide (PubChem CID 136849957) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2S)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide.

Molecular Properties

Compound Name(2S)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
PubChem CID136849957
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name(2S)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
SMILESC=CCc1cccc(/C=N\NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1O
InChIInChI=1S/C23H22N2O3/c1-3-7-18-10-6-11-20(22(18)26)15-24-25-23(27)16(2)28-21-13-12-17-8-4-5-9-19(17)14-21/h3-6,8-16,26H,1,7H2,2H3,(H,25,27)/b24-15-/t16-/m0/s1
InChIKeyQVWWXTZNDHBEBM-PHQOBFFQSA-N
XLogP4.19
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.19
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide
CID 135685222
N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 135679097
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 135472410
(2R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 5458000
(2R)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide
CID 135763620
(2R)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-quinolin-8-yloxypropanamide
CID 136914131
2-naphthalen-2-yloxy-N-(quinolin-8-ylmethylideneamino)propanamide
CID 2867106
(2S)-2-(4-chlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)propanamide
CID 1239974
N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 3542949
N-(ethylideneamino)-2-naphthalen-2-yloxypropanamide
CID 4633830
N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]naphthalene-1-carboxamide
CID 136663063
N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939949

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide?
The IUPAC name of (2S)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide (CID 136849957) is (2S)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide.
What is the SMILES notation for (2S)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide?
The canonical SMILES for (2S)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide is C=CCc1cccc(/C=N\NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1O.
What is the InChIKey of (2S)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide?
The InChIKey is QVWWXTZNDHBEBM-PHQOBFFQSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-3-7-18-10-6-11-20(22(18)26)15-24-25-23(27)16(2)28-21-13-12-17-8-4-5-9-19(17)14-21/h3-6,8-16,26H,1,7H2,2H3,(H,25,27)/b24-15-/t16-/m0/s1.
What are the key properties of (2S)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide?
(2S)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide has a molecular weight of 374.44 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide is sourced from PubChem (CID 136849957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).