2-[4-[(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide

C21H21N5O3 — CID 168592112

IUPAC2-[4-[(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide
SMILESCOc1cc(C=NN=C(N)N)ccc1OCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H21N5O3/c1-28-19-11-14(12-24-26-21(22)23)9-10-18(19)29-13-20(27)25-17-8-4-6-15-5-2-3-7-16(15)17/h2-12H,13H2,1H3,(H,25,27)(H4,22,23,26)
InChIKeyBXHVERFXYYOKHN-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.47
Rot. Bonds7

About 2-[4-[(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide

2-[4-[(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide (PubChem CID 168592112) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-[4-[(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[4-[(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide
PubChem CID168592112
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name2-[4-[(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide
SMILESCOc1cc(C=NN=C(N)N)ccc1OCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H21N5O3/c1-28-19-11-14(12-24-26-21(22)23)9-10-18(19)29-13-20(27)25-17-8-4-6-15-5-2-3-7-16(15)17/h2-12H,13H2,1H3,(H,25,27)(H4,22,23,26)
InChIKeyBXHVERFXYYOKHN-UHFFFAOYSA-N
XLogP2.47
TPSA124.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N'-[[3-methoxy-4-[2-(naphthalen-1-ylamino)-2-oxoethoxy]phenyl]methylideneamino]carbamimidothioate
CID 168612910
2-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-phenoxyphenyl)acetamide
CID 110341184
methyl 2-[[2-[4-[(diaminomethylidenehydrazinylidene)methyl]-2-ethoxyphenoxy]acetyl]amino]benzoate
CID 168591929
2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide
CID 2627702
4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126011349
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2,3-dichlorophenyl)acetamide
CID 110341281
benzyl N'-[[4-[2-(benzylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]carbamimidothioate
CID 168612907
N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 126024494
N-[(E)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 126382769
3-hydroxy-N-[(E)-[3-methoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126016312
benzyl N'-[[3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]carbamimidothioate
CID 168611956
2-[4-[(Z)-(diphenylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 126027803

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[4-[(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide (CID 168592112) is 2-[4-[(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[4-[(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[4-[(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide is COc1cc(C=NN=C(N)N)ccc1OCC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-[4-[(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide?
The InChIKey is BXHVERFXYYOKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-28-19-11-14(12-24-26-21(22)23)9-10-18(19)29-13-20(27)25-17-8-4-6-15-5-2-3-7-16(15)17/h2-12H,13H2,1H3,(H,25,27)(H4,22,23,26).
What are the key properties of 2-[4-[(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide?
2-[4-[(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide has a molecular weight of 391.43 g/mol, XLogP of 2.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 168592112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).