2-phenylmethoxy-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide

C28H22N2O3 — CID 19657881

IUPAC2-phenylmethoxy-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide
SMILESC#CCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C28H22N2O3/c1-2-18-32-27-17-16-22-12-6-7-13-23(22)25(27)19-29-30-28(31)24-14-8-9-15-26(24)33-20-21-10-4-3-5-11-21/h1,3-17,19H,18,20H2,(H,30,31)/b29-19-
InChIKeyOBLQPDGKQKMSRJ-CEUNXORHSA-N
MW434.50 g/mol
LogP5.19
Rot. Bonds8

About 2-phenylmethoxy-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide

2-phenylmethoxy-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 19657881) has the molecular formula C28H22N2O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-phenylmethoxy-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-phenylmethoxy-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID19657881
Molecular FormulaC28H22N2O3
Molecular Weight434.50 g/mol
Exact Mass434.16
IUPAC Name2-phenylmethoxy-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide
SMILESC#CCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C28H22N2O3/c1-2-18-32-27-17-16-22-12-6-7-13-23(22)25(27)19-29-30-28(31)24-14-8-9-15-26(24)33-20-21-10-4-3-5-11-21/h1,3-17,19H,18,20H2,(H,30,31)/b29-19-
InChIKeyOBLQPDGKQKMSRJ-CEUNXORHSA-N
XLogP5.19
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(E)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide
CID 21370937
2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide
CID 29147296
4-chloro-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide
CID 7933000
2-hydroxy-4-methoxy-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide
CID 126397384
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-iodobenzamide
CID 4690397
N-[(E)-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide
CID 19061174
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-chlorobenzamide
CID 4108079
N-(anthracen-9-ylmethylideneamino)-2-[(4-bromophenyl)methoxy]benzamide
CID 71960202
2-hydroxy-5-nitro-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide
CID 40565670
2-methoxy-5-nitro-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide
CID 126178658
N-[(E)-anthracen-9-ylmethylideneamino]-2-[(3-bromophenyl)methoxy]benzamide
CID 83290847
2-chloro-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]pyridine-3-carboxamide
CID 5125283

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 2-phenylmethoxy-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide (CID 19657881) is 2-phenylmethoxy-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-phenylmethoxy-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 2-phenylmethoxy-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide is C#CCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is OBLQPDGKQKMSRJ-CEUNXORHSA-N. The full InChI is InChI=1S/C28H22N2O3/c1-2-18-32-27-17-16-22-12-6-7-13-23(22)25(27)19-29-30-28(31)24-14-8-9-15-26(24)33-20-21-10-4-3-5-11-21/h1,3-17,19H,18,20H2,(H,30,31)/b29-19-.
What are the key properties of 2-phenylmethoxy-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide?
2-phenylmethoxy-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide has a molecular weight of 434.50 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 19657881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).