3-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide

C26H22N2O3 — CID 5173302

IUPAC3-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NN=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H22N2O3/c1-30-25-16-22-10-6-5-9-21(22)15-24(25)26(29)28-27-17-19-11-13-23(14-12-19)31-18-20-7-3-2-4-8-20/h2-17H,18H2,1H3,(H,28,29)
InChIKeyNLLUXRSRILWRFK-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.19
Rot. Bonds7

About 3-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide

3-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide (PubChem CID 5173302) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is 3-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
PubChem CID5173302
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name3-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NN=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H22N2O3/c1-30-25-16-22-10-6-5-9-21(22)15-24(25)26(29)28-27-17-19-11-13-23(14-12-19)31-18-20-7-3-2-4-8-20/h2-17H,18H2,1H3,(H,28,29)
InChIKeyNLLUXRSRILWRFK-UHFFFAOYSA-N
XLogP5.19
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-[[4-[[(3-methoxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 4314074
2-methoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6068795
N-[(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3743730
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135647002
3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6070681
3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6305371
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
3-hydroxy-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6906540
N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3279486
2-methyl-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 916420
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932965
4-[[2-ethoxy-4-[(Z)-[(3-methoxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 6061464

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide (CID 5173302) is 3-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)NN=Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide?
The InChIKey is NLLUXRSRILWRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-30-25-16-22-10-6-5-9-21(22)15-24(25)26(29)28-27-17-19-11-13-23(14-12-19)31-18-20-7-3-2-4-8-20/h2-17H,18H2,1H3,(H,28,29).
What are the key properties of 3-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide?
3-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 5173302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).