N-naphthalen-1-yl-N'-(1-phenylethylideneamino)butanediamide

C22H21N3O2 — CID 4609647

IUPACN-naphthalen-1-yl-N'-(1-phenylethylideneamino)butanediamide
SMILESCC(=NNC(=O)CCC(=O)Nc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C22H21N3O2/c1-16(17-8-3-2-4-9-17)24-25-22(27)15-14-21(26)23-20-13-7-11-18-10-5-6-12-19(18)20/h2-13H,14-15H2,1H3,(H,23,26)(H,25,27)
InChIKeyQJGJCDCNVIRGMZ-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.10
Rot. Bonds6

About N-naphthalen-1-yl-N'-(1-phenylethylideneamino)butanediamide

N-naphthalen-1-yl-N'-(1-phenylethylideneamino)butanediamide (PubChem CID 4609647) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-naphthalen-1-yl-N'-(1-phenylethylideneamino)butanediamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-N'-(1-phenylethylideneamino)butanediamide
PubChem CID4609647
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-naphthalen-1-yl-N'-(1-phenylethylideneamino)butanediamide
SMILESCC(=NNC(=O)CCC(=O)Nc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C22H21N3O2/c1-16(17-8-3-2-4-9-17)24-25-22(27)15-14-21(26)23-20-13-7-11-18-10-5-6-12-19(18)20/h2-13H,14-15H2,1H3,(H,23,26)(H,25,27)
InChIKeyQJGJCDCNVIRGMZ-UHFFFAOYSA-N
XLogP4.10
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
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,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
N,N'-bis(1-phenylethylideneamino)octanediamide
CID 4517497
N-(4-chloro-2-methylphenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide
CID 6110651
N-[1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 5099377
2-naphthalen-1-yloxy-N-[(Z)-1-phenylethylideneamino]acetamide
CID 5404956
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 6083520
N'-[1-(4-aminophenyl)ethylideneamino]-N-(2-chlorophenyl)butanediamide
CID 3419515
N-[(Z)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 171979194
N'-[(2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide
CID 5144173
N-(4-nitrophenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide
CID 6020436
N-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3144325
N'-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide
CID 5078091

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N'-(1-phenylethylideneamino)butanediamide?
The IUPAC name of N-naphthalen-1-yl-N'-(1-phenylethylideneamino)butanediamide (CID 4609647) is N-naphthalen-1-yl-N'-(1-phenylethylideneamino)butanediamide.
What is the SMILES notation for N-naphthalen-1-yl-N'-(1-phenylethylideneamino)butanediamide?
The canonical SMILES for N-naphthalen-1-yl-N'-(1-phenylethylideneamino)butanediamide is CC(=NNC(=O)CCC(=O)Nc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of N-naphthalen-1-yl-N'-(1-phenylethylideneamino)butanediamide?
The InChIKey is QJGJCDCNVIRGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16(17-8-3-2-4-9-17)24-25-22(27)15-14-21(26)23-20-13-7-11-18-10-5-6-12-19(18)20/h2-13H,14-15H2,1H3,(H,23,26)(H,25,27).
What are the key properties of N-naphthalen-1-yl-N'-(1-phenylethylideneamino)butanediamide?
N-naphthalen-1-yl-N'-(1-phenylethylideneamino)butanediamide has a molecular weight of 359.43 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N'-(1-phenylethylideneamino)butanediamide is sourced from PubChem (CID 4609647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).