N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide

C21H20N2O4 — CID 4634005

IUPACN-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
SMILESCOc1cc(C=NNC(=O)C(C)Oc2ccc3ccccc3c2)ccc1O
InChIInChI=1S/C21H20N2O4/c1-14(27-18-9-8-16-5-3-4-6-17(16)12-18)21(25)23-22-13-15-7-10-19(24)20(11-15)26-2/h3-14,24H,1-2H3,(H,23,25)
InChIKeyKTVTXXRYCDVPPE-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.47
Rot. Bonds6

About N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide

N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide (PubChem CID 4634005) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
PubChem CID4634005
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
SMILESCOc1cc(C=NNC(=O)C(C)Oc2ccc3ccccc3c2)ccc1O
InChIInChI=1S/C21H20N2O4/c1-14(27-18-9-8-16-5-3-4-6-17(16)12-18)21(25)23-22-13-15-7-10-19(24)20(11-15)26-2/h3-14,24H,1-2H3,(H,23,25)
InChIKeyKTVTXXRYCDVPPE-UHFFFAOYSA-N
XLogP3.47
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide
CID 135715705
2-(4-bromophenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135615985
N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939949
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 135472410
N-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4061688
(2R)-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 137172631
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135679569
2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 2789102
(2S)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 136757836
(2R)-N-[(Z)-naphthalen-2-ylmethylideneamino]-2-naphthalen-1-yloxypropanamide
CID 7039270
2-[4-[(Z)-[[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 7167427
(2R)-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 136914839

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide (CID 4634005) is N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide is COc1cc(C=NNC(=O)C(C)Oc2ccc3ccccc3c2)ccc1O.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide?
The InChIKey is KTVTXXRYCDVPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-14(27-18-9-8-16-5-3-4-6-17(16)12-18)21(25)23-22-13-15-7-10-19(24)20(11-15)26-2/h3-14,24H,1-2H3,(H,23,25).
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide?
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide has a molecular weight of 364.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide is sourced from PubChem (CID 4634005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).