N,N'-bis(naphthalen-2-ylmethylideneamino)pentanediamide

C27H24N4O2 — CID 2250679

IUPACN,N'-bis(naphthalen-2-ylmethylideneamino)pentanediamide
SMILESO=C(CCCC(=O)NN=Cc1ccc2ccccc2c1)NN=Cc1ccc2ccccc2c1
InChIInChI=1S/C27H24N4O2/c32-26(30-28-18-20-12-14-22-6-1-3-8-24(22)16-20)10-5-11-27(33)31-29-19-21-13-15-23-7-2-4-9-25(23)17-21/h1-4,6-9,12-19H,5,10-11H2,(H,30,32)(H,31,33)
InChIKeyMDLHALBVLUFVET-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.76
Rot. Bonds8

About N,N'-bis(naphthalen-2-ylmethylideneamino)pentanediamide

N,N'-bis(naphthalen-2-ylmethylideneamino)pentanediamide (PubChem CID 2250679) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N,N'-bis(naphthalen-2-ylmethylideneamino)pentanediamide.

Molecular Properties

Compound NameN,N'-bis(naphthalen-2-ylmethylideneamino)pentanediamide
PubChem CID2250679
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC NameN,N'-bis(naphthalen-2-ylmethylideneamino)pentanediamide
SMILESO=C(CCCC(=O)NN=Cc1ccc2ccccc2c1)NN=Cc1ccc2ccccc2c1
InChIInChI=1S/C27H24N4O2/c32-26(30-28-18-20-12-14-22-6-1-3-8-24(22)16-20)10-5-11-27(33)31-29-19-21-13-15-23-7-2-4-9-25(23)17-21/h1-4,6-9,12-19H,5,10-11H2,(H,30,32)(H,31,33)
InChIKeyMDLHALBVLUFVET-UHFFFAOYSA-N
XLogP4.76
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

7-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-7-oxoheptanoic acid
CID 23778466
2-cyano-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 6048140
N-(2,5-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide
CID 3297103
N-(2,4-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide
CID 4037663
methyl N-(naphthalen-2-ylmethylideneamino)carbamate
CID 909426
2-(4-methylphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 5401746
ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate
CID 5401750
2-(2-ethoxyphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 7334062
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]pentanediamide
CID 6861549
2-hydroxy-2-methyl-N-[(E)-naphthalen-2-ylmethylideneamino]propanamide
CID 25237720
N-(naphthalen-2-ylmethylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
CID 922560
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 687876

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(naphthalen-2-ylmethylideneamino)pentanediamide?
The IUPAC name of N,N'-bis(naphthalen-2-ylmethylideneamino)pentanediamide (CID 2250679) is N,N'-bis(naphthalen-2-ylmethylideneamino)pentanediamide.
What is the SMILES notation for N,N'-bis(naphthalen-2-ylmethylideneamino)pentanediamide?
The canonical SMILES for N,N'-bis(naphthalen-2-ylmethylideneamino)pentanediamide is O=C(CCCC(=O)NN=Cc1ccc2ccccc2c1)NN=Cc1ccc2ccccc2c1.
What is the InChIKey of N,N'-bis(naphthalen-2-ylmethylideneamino)pentanediamide?
The InChIKey is MDLHALBVLUFVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c32-26(30-28-18-20-12-14-22-6-1-3-8-24(22)16-20)10-5-11-27(33)31-29-19-21-13-15-23-7-2-4-9-25(23)17-21/h1-4,6-9,12-19H,5,10-11H2,(H,30,32)(H,31,33).
What are the key properties of N,N'-bis(naphthalen-2-ylmethylideneamino)pentanediamide?
N,N'-bis(naphthalen-2-ylmethylideneamino)pentanediamide has a molecular weight of 436.52 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(naphthalen-2-ylmethylideneamino)pentanediamide is sourced from PubChem (CID 2250679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).