N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-N-prop-2-enyloxamide

C23H21N3O3 — CID 8901914

IUPACN'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)N/N=C\c1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C23H21N3O3/c1-2-14-24-22(27)23(28)26-25-15-20-19-11-7-6-10-18(19)12-13-21(20)29-16-17-8-4-3-5-9-17/h2-13,15H,1,14,16H2,(H,24,27)(H,26,28)/b25-15-
InChIKeyZATMHSQIXLHMSD-MYYYXRDXSA-N
MW387.44 g/mol
LogP3.17
Rot. Bonds7

About N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-N-prop-2-enyloxamide

N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-N-prop-2-enyloxamide (PubChem CID 8901914) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-N-prop-2-enyloxamide
PubChem CID8901914
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)N/N=C\c1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C23H21N3O3/c1-2-14-24-22(27)23(28)26-25-15-20-19-11-7-6-10-18(19)12-13-21(20)29-16-17-8-4-3-5-9-17/h2-13,15H,1,14,16H2,(H,24,27)(H,26,28)/b25-15-
InChIKeyZATMHSQIXLHMSD-MYYYXRDXSA-N
XLogP3.17
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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

N-(4-phenoxyphenyl)-N'-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]oxamide
CID 25251113
N'-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-propyloxamide
CID 8902463
N-phenyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]propanediamide
CID 3675600
2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide
CID 29147296
1-methyl-3-[(E)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]thiourea
CID 7346399
N-(4-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide
CID 3580883
N'-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(4-phenoxyphenyl)oxamide
CID 5195606
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 8932181
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 8932118
N-[(2-phenylmethoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 807879
N-(2-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide
CID 3911519
4-chloro-N-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]aniline
CID 110840761

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-N-prop-2-enyloxamide?
The IUPAC name of N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-N-prop-2-enyloxamide (CID 8901914) is N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)N/N=C\c1c(OCc2ccccc2)ccc2ccccc12.
What is the InChIKey of N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-N-prop-2-enyloxamide?
The InChIKey is ZATMHSQIXLHMSD-MYYYXRDXSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-2-14-24-22(27)23(28)26-25-15-20-19-11-7-6-10-18(19)12-13-21(20)29-16-17-8-4-3-5-9-17/h2-13,15H,1,14,16H2,(H,24,27)(H,26,28)/b25-15-.
What are the key properties of N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-N-prop-2-enyloxamide?
N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-N-prop-2-enyloxamide has a molecular weight of 387.44 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-N-prop-2-enyloxamide is sourced from PubChem (CID 8901914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).