2-naphthalen-1-yloxy-N-[(1-phenylpyrrol-2-yl)methylideneamino]acetamide

C23H19N3O2 — CID 3763934

IUPAC2-naphthalen-1-yloxy-N-[(1-phenylpyrrol-2-yl)methylideneamino]acetamide
SMILESO=C(COc1cccc2ccccc12)NN=Cc1cccn1-c1ccccc1
InChIInChI=1S/C23H19N3O2/c27-23(17-28-22-14-6-9-18-8-4-5-13-21(18)22)25-24-16-20-12-7-15-26(20)19-10-2-1-3-11-19/h1-16H,17H2,(H,25,27)
InChIKeyZIXPIMCDWPRZGS-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.16
Rot. Bonds6

About 2-naphthalen-1-yloxy-N-[(1-phenylpyrrol-2-yl)methylideneamino]acetamide

2-naphthalen-1-yloxy-N-[(1-phenylpyrrol-2-yl)methylideneamino]acetamide (PubChem CID 3763934) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-N-[(1-phenylpyrrol-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yloxy-N-[(1-phenylpyrrol-2-yl)methylideneamino]acetamide
PubChem CID3763934
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name2-naphthalen-1-yloxy-N-[(1-phenylpyrrol-2-yl)methylideneamino]acetamide
SMILESO=C(COc1cccc2ccccc12)NN=Cc1cccn1-c1ccccc1
InChIInChI=1S/C23H19N3O2/c27-23(17-28-22-14-6-9-18-8-4-5-13-21(18)22)25-24-16-20-12-7-15-26(20)19-10-2-1-3-11-19/h1-16H,17H2,(H,25,27)
InChIKeyZIXPIMCDWPRZGS-UHFFFAOYSA-N
XLogP4.16
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 50855546
2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3274359
4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]benzoic acid
CID 958505
N-[(E)-[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126020817
2-(3-bromophenoxy)-N-[(Z)-(1-naphthalen-2-ylpyrrol-2-yl)methylideneamino]acetamide
CID 21374448
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 773201
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 4296010
4-[2-[(E)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid
CID 126256508
N-[(E)-[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 126015338
2-naphthalen-1-yloxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5146586
2-naphthalen-1-yloxy-N-(thiophen-3-ylmethylideneamino)acetamide
CID 957194
[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]urea
CID 5425600

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxy-N-[(1-phenylpyrrol-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-naphthalen-1-yloxy-N-[(1-phenylpyrrol-2-yl)methylideneamino]acetamide (CID 3763934) is 2-naphthalen-1-yloxy-N-[(1-phenylpyrrol-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-naphthalen-1-yloxy-N-[(1-phenylpyrrol-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-naphthalen-1-yloxy-N-[(1-phenylpyrrol-2-yl)methylideneamino]acetamide is O=C(COc1cccc2ccccc12)NN=Cc1cccn1-c1ccccc1.
What is the InChIKey of 2-naphthalen-1-yloxy-N-[(1-phenylpyrrol-2-yl)methylideneamino]acetamide?
The InChIKey is ZIXPIMCDWPRZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-23(17-28-22-14-6-9-18-8-4-5-13-21(18)22)25-24-16-20-12-7-15-26(20)19-10-2-1-3-11-19/h1-16H,17H2,(H,25,27).
What are the key properties of 2-naphthalen-1-yloxy-N-[(1-phenylpyrrol-2-yl)methylideneamino]acetamide?
2-naphthalen-1-yloxy-N-[(1-phenylpyrrol-2-yl)methylideneamino]acetamide has a molecular weight of 369.42 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxy-N-[(1-phenylpyrrol-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 3763934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).