2-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide

C20H19N3O — CID 5393375

IUPAC2-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
SMILESCc1ccc(NCC(=O)N/N=C\c2cccc3ccccc23)cc1
InChIInChI=1S/C20H19N3O/c1-15-9-11-18(12-10-15)21-14-20(24)23-22-13-17-7-4-6-16-5-2-3-8-19(16)17/h2-13,21H,14H2,1H3,(H,23,24)/b22-13-
InChIKeyWFSRNXKPCNBFAL-XKZIYDEJSA-N
MW317.39 g/mol
LogP3.71
Rot. Bonds5

About 2-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide

2-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide (PubChem CID 5393375) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
PubChem CID5393375
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
SMILESCc1ccc(NCC(=O)N/N=C\c2cccc3ccccc23)cc1
InChIInChI=1S/C20H19N3O/c1-15-9-11-18(12-10-15)21-14-20(24)23-22-13-17-7-4-6-16-5-2-3-8-19(16)17/h2-13,21H,14H2,1H3,(H,23,24)/b22-13-
InChIKeyWFSRNXKPCNBFAL-XKZIYDEJSA-N
XLogP3.71
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 5421688
N-[(2,3-dichlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 872216
N-(benzylideneamino)-2-(4-methylanilino)acetamide
CID 689462
N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide
CID 92959506
2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 7638625
N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 5063560
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-phenylacetamide
CID 5407611
2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 4628921
2-anilino-N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]acetamide
CID 136736930
N-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]tetradecanamide
CID 45054319
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 4661365
2-anilino-N-[(Z)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]acetamide
CID 7933354

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide?
The IUPAC name of 2-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide (CID 5393375) is 2-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is Cc1ccc(NCC(=O)N/N=C\c2cccc3ccccc23)cc1.
What is the InChIKey of 2-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide?
The InChIKey is WFSRNXKPCNBFAL-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H19N3O/c1-15-9-11-18(12-10-15)21-14-20(24)23-22-13-17-7-4-6-16-5-2-3-8-19(16)17/h2-13,21H,14H2,1H3,(H,23,24)/b22-13-.
What are the key properties of 2-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide?
2-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide has a molecular weight of 317.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is sourced from PubChem (CID 5393375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).