N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide

C28H26N4O4 — CID 135616078

IUPACN,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
SMILESO=C(CCCCC(=O)N/N=C/c1c(O)ccc2ccccc12)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C28H26N4O4/c33-25-15-13-19-7-1-3-9-21(19)23(25)17-29-31-27(35)11-5-6-12-28(36)32-30-18-24-22-10-4-2-8-20(22)14-16-26(24)34/h1-4,7-10,13-18,33-34H,5-6,11-12H2,(H,31,35)(H,32,36)/b29-17+,30-18+
InChIKeyNDHPCRVMLBYKSR-YAGSLNJISA-N
MW482.54 g/mol
LogP4.57
Rot. Bonds9

About N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide

N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide (PubChem CID 135616078) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
PubChem CID135616078
Molecular FormulaC28H26N4O4
Molecular Weight482.54 g/mol
Exact Mass482.20
IUPAC NameN,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
SMILESO=C(CCCCC(=O)N/N=C/c1c(O)ccc2ccccc12)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C28H26N4O4/c33-25-15-13-19-7-1-3-9-21(19)23(25)17-29-31-27(35)11-5-6-12-28(36)32-30-18-24-22-10-4-2-8-20(22)14-16-26(24)34/h1-4,7-10,13-18,33-34H,5-6,11-12H2,(H,31,35)(H,32,36)/b29-17+,30-18+
InChIKeyNDHPCRVMLBYKSR-YAGSLNJISA-N
XLogP4.57
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide
CID 3500050
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]dodecanamide
CID 5068789
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]undecanamide
CID 135738478
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(4-hydroxyphenyl)butanamide
CID 4245743
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 135491092
N-(4-fluorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]butanediamide
CID 135562382
N-(2-fluorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]butanediamide
CID 135684747
methyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 135588910

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide?
The IUPAC name of N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide (CID 135616078) is N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide.
What is the SMILES notation for N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide?
The canonical SMILES for N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide is O=C(CCCCC(=O)N/N=C/c1c(O)ccc2ccccc12)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide?
The InChIKey is NDHPCRVMLBYKSR-YAGSLNJISA-N. The full InChI is InChI=1S/C28H26N4O4/c33-25-15-13-19-7-1-3-9-21(19)23(25)17-29-31-27(35)11-5-6-12-28(36)32-30-18-24-22-10-4-2-8-20(22)14-16-26(24)34/h1-4,7-10,13-18,33-34H,5-6,11-12H2,(H,31,35)(H,32,36)/b29-17+,30-18+.
What are the key properties of N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide?
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide has a molecular weight of 482.54 g/mol, XLogP of 4.57, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide is sourced from PubChem (CID 135616078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).