2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide

C21H21N3O3 — CID 4628921

IUPAC2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCOc1ccc(NCC(=O)NN=Cc2ccc(OC)c3ccccc23)cc1
InChIInChI=1S/C21H21N3O3/c1-26-17-10-8-16(9-11-17)22-14-21(25)24-23-13-15-7-12-20(27-2)19-6-4-3-5-18(15)19/h3-13,22H,14H2,1-2H3,(H,24,25)
InChIKeySCJAPFPXJBCDIS-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.42
Rot. Bonds7

About 2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide

2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide (PubChem CID 4628921) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
PubChem CID4628921
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
SMILESCOc1ccc(NCC(=O)NN=Cc2ccc(OC)c3ccccc23)cc1
InChIInChI=1S/C21H21N3O3/c1-26-17-10-8-16(9-11-17)22-14-21(25)24-23-13-15-7-12-20(27-2)19-6-4-3-5-18(15)19/h3-13,22H,14H2,1-2H3,(H,24,25)
InChIKeySCJAPFPXJBCDIS-UHFFFAOYSA-N
XLogP3.42
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 871407
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 5191002
2-(4-ethoxyanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 5421688
2-(4-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4005340
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 767055
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 4661365
2-anilino-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 136662896
2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 2824721
2-(2,6-dimethylphenoxy)-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 6129551
2-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 5393375
2-(4-methoxyanilino)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 136899315
N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 5432415

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide (CID 4628921) is 2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide is COc1ccc(NCC(=O)NN=Cc2ccc(OC)c3ccccc23)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide?
The InChIKey is SCJAPFPXJBCDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-17-10-8-16(9-11-17)22-14-21(25)24-23-13-15-7-12-20(27-2)19-6-4-3-5-18(15)19/h3-13,22H,14H2,1-2H3,(H,24,25).
What are the key properties of 2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide?
2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide has a molecular weight of 363.42 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide is sourced from PubChem (CID 4628921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).