N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide

C26H22N4O2 — CID 92959506

IUPACN-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide
SMILESO=C(CCC(=O)N/N=C/c1cccc2ccccc12)N/N=C\c1cccc2ccccc12
InChIInChI=1S/C26H22N4O2/c31-25(29-27-17-21-11-5-9-19-7-1-3-13-23(19)21)15-16-26(32)30-28-18-22-12-6-10-20-8-2-4-14-24(20)22/h1-14,17-18H,15-16H2,(H,29,31)(H,30,32)/b27-17-,28-18+
InChIKeyPKORXWIBWKYUDY-HJVIKEODSA-N
MW422.49 g/mol
LogP4.37
Rot. Bonds7

About N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide

N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide (PubChem CID 92959506) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide.

Molecular Properties

Compound NameN-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide
PubChem CID92959506
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC NameN-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide
SMILESO=C(CCC(=O)N/N=C/c1cccc2ccccc12)N/N=C\c1cccc2ccccc12
InChIInChI=1S/C26H22N4O2/c31-25(29-27-17-21-11-5-9-19-7-1-3-13-23(19)21)15-16-26(32)30-28-18-22-12-6-10-20-8-2-4-14-24(20)22/h1-14,17-18H,15-16H2,(H,29,31)(H,30,32)/b27-17-,28-18+
InChIKeyPKORXWIBWKYUDY-HJVIKEODSA-N
XLogP4.37
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.37
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

N-[(Z)-naphthalen-1-ylmethylideneamino]-2-phenylacetamide
CID 5407611
N'-[(2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide
CID 5144173
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 5063560
N,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide
CID 4547663
1,3-bis(naphthalen-1-ylmethylideneamino)thiourea
CID 5196948
2-(azocan-1-yl)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 786240
N-(naphthalen-1-ylmethylideneamino)-2-thiophen-2-ylacetamide
CID 2064176
N-[(E)-naphthalen-1-ylmethylideneamino]-2-thiophen-2-ylacetamide
CID 6893906
2-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 5393375
N-[(Z)-naphthalen-1-ylmethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide
CID 7955742
N-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]tetradecanamide
CID 45054319

Frequently Asked Questions

What is the IUPAC name of N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide?
The IUPAC name of N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide (CID 92959506) is N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide.
What is the SMILES notation for N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide?
The canonical SMILES for N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide is O=C(CCC(=O)N/N=C/c1cccc2ccccc12)N/N=C\c1cccc2ccccc12.
What is the InChIKey of N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide?
The InChIKey is PKORXWIBWKYUDY-HJVIKEODSA-N. The full InChI is InChI=1S/C26H22N4O2/c31-25(29-27-17-21-11-5-9-19-7-1-3-13-23(19)21)15-16-26(32)30-28-18-22-12-6-10-20-8-2-4-14-24(20)22/h1-14,17-18H,15-16H2,(H,29,31)(H,30,32)/b27-17-,28-18+.
What are the key properties of N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide?
N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide has a molecular weight of 422.49 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide is sourced from PubChem (CID 92959506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).