N-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide

C21H21N3O — CID 5099377

IUPACN-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
SMILESCC(=NNC(=O)CNc1cccc2ccccc12)c1ccc(C)cc1
InChIInChI=1S/C21H21N3O/c1-15-10-12-17(13-11-15)16(2)23-24-21(25)14-22-20-9-5-7-18-6-3-4-8-19(18)20/h3-13,22H,14H2,1-2H3,(H,24,25)
InChIKeyNVDMVTZRVLZZEU-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.10
Rot. Bonds5

About N-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide

N-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide (PubChem CID 5099377) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
PubChem CID5099377
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
SMILESCC(=NNC(=O)CNc1cccc2ccccc12)c1ccc(C)cc1
InChIInChI=1S/C21H21N3O/c1-15-10-12-17(13-11-15)16(2)23-24-21(25)14-22-20-9-5-7-18-6-3-4-8-19(18)20/h3-13,22H,14H2,1-2H3,(H,24,25)
InChIKeyNVDMVTZRVLZZEU-UHFFFAOYSA-N
XLogP4.10
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.10
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

N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 6083520
2-(2-chloroanilino)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 5427824
2-(naphthalen-1-ylamino)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6322259
N-[1-(5-bromothiophen-2-yl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 1095079
N-naphthalen-1-yl-N'-(1-phenylethylideneamino)butanediamide
CID 4609647
2-(3-chloro-2-methylanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 5427982
N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
CID 5457542
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(3-chloro-2-methylanilino)acetamide
CID 5427988
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 5427879
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methylanilino)acetamide
CID 6169324
2-(4-methylphenyl)-N-[(Z)-1-naphthalen-1-ylethylideneamino]acetamide
CID 6859027
2-(naphthalen-1-ylamino)-N-phenylacetamide
CID 9082358

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The IUPAC name of N-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide (CID 5099377) is N-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide.
What is the SMILES notation for N-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The canonical SMILES for N-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide is CC(=NNC(=O)CNc1cccc2ccccc12)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide?
The InChIKey is NVDMVTZRVLZZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-10-12-17(13-11-15)16(2)23-24-21(25)14-22-20-9-5-7-18-6-3-4-8-19(18)20/h3-13,22H,14H2,1-2H3,(H,24,25).
What are the key properties of N-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide?
N-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide has a molecular weight of 331.42 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide is sourced from PubChem (CID 5099377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).