N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxypropanamide

C28H26N2O4 — CID 3542949

IUPACN-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxypropanamide
SMILESCOc1cccc(COc2ccccc2C=NNC(=O)C(C)Oc2ccc3ccccc3c2)c1
InChIInChI=1S/C28H26N2O4/c1-20(34-26-15-14-22-9-3-4-10-23(22)17-26)28(31)30-29-18-24-11-5-6-13-27(24)33-19-21-8-7-12-25(16-21)32-2/h3-18,20H,19H2,1-2H3,(H,30,31)
InChIKeyLXQTUQWOBDGERT-UHFFFAOYSA-N
MW454.53 g/mol
LogP5.34
Rot. Bonds9

About N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxypropanamide

N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxypropanamide (PubChem CID 3542949) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxypropanamide.

Molecular Properties

Compound NameN-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxypropanamide
PubChem CID3542949
Molecular FormulaC28H26N2O4
Molecular Weight454.53 g/mol
Exact Mass454.19
IUPAC NameN-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxypropanamide
SMILESCOc1cccc(COc2ccccc2C=NNC(=O)C(C)Oc2ccc3ccccc3c2)c1
InChIInChI=1S/C28H26N2O4/c1-20(34-26-15-14-22-9-3-4-10-23(22)17-26)28(31)30-29-18-24-11-5-6-13-27(24)33-19-21-8-7-12-25(16-21)32-2/h3-18,20H,19H2,1-2H3,(H,30,31)
InChIKeyLXQTUQWOBDGERT-UHFFFAOYSA-N
XLogP5.34
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide
CID 3684614
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 135472410
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
CID 2851618
[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]thiourea
CID 6182583
N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 53282955
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
CID 171979500
2-ethoxy-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6028587
N-(4-methoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]-2-propan-2-ylpropanediamide
CID 4987126
(2R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 5458000
N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
CID 5497349
N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-(3-methylphenoxy)acetamide
CID 1249215
2-naphthalen-2-yloxy-N-(quinolin-8-ylmethylideneamino)propanamide
CID 2867106

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxypropanamide?
The IUPAC name of N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxypropanamide (CID 3542949) is N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxypropanamide.
What is the SMILES notation for N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxypropanamide?
The canonical SMILES for N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxypropanamide is COc1cccc(COc2ccccc2C=NNC(=O)C(C)Oc2ccc3ccccc3c2)c1.
What is the InChIKey of N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxypropanamide?
The InChIKey is LXQTUQWOBDGERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4/c1-20(34-26-15-14-22-9-3-4-10-23(22)17-26)28(31)30-29-18-24-11-5-6-13-27(24)33-19-21-8-7-12-25(16-21)32-2/h3-18,20H,19H2,1-2H3,(H,30,31).
What are the key properties of N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxypropanamide?
N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxypropanamide has a molecular weight of 454.53 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-2-naphthalen-2-yloxypropanamide is sourced from PubChem (CID 3542949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).