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

C32H34N4O4 — CID 135683333

IUPACN,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]decanediamide
SMILESO=C(CCCCCCCCC(=O)N/N=C/c1c(O)ccc2ccccc12)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C32H34N4O4/c37-29-19-17-23-11-7-9-13-25(23)27(29)21-33-35-31(39)15-5-3-1-2-4-6-16-32(40)36-34-22-28-26-14-10-8-12-24(26)18-20-30(28)38/h7-14,17-22,37-38H,1-6,15-16H2,(H,35,39)(H,36,40)/b33-21+,34-22+
InChIKeyOQWDSDKMVLLJOX-WXGDAXOSSA-N
MW538.65 g/mol
LogP6.13
Rot. Bonds13

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

N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]decanediamide (PubChem CID 135683333) has the molecular formula C32H34N4O4 and a molecular weight of 538.65 g/mol. Its IUPAC name is N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]decanediamide.

Molecular Properties

Compound NameN,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]decanediamide
PubChem CID135683333
Molecular FormulaC32H34N4O4
Molecular Weight538.65 g/mol
Exact Mass538.26
IUPAC NameN,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]decanediamide
SMILESO=C(CCCCCCCCC(=O)N/N=C/c1c(O)ccc2ccccc12)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C32H34N4O4/c37-29-19-17-23-11-7-9-13-25(23)27(29)21-33-35-31(39)15-5-3-1-2-4-6-16-32(40)36-34-22-28-26-14-10-8-12-24(26)18-20-30(28)38/h7-14,17-22,37-38H,1-6,15-16H2,(H,35,39)(H,36,40)/b33-21+,34-22+
InChIKeyOQWDSDKMVLLJOX-WXGDAXOSSA-N
XLogP6.13
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 56.13
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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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]decanediamide?
The IUPAC name of N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]decanediamide (CID 135683333) is N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]decanediamide.
What is the SMILES notation for N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]decanediamide?
The canonical SMILES for N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]decanediamide is O=C(CCCCCCCCC(=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]decanediamide?
The InChIKey is OQWDSDKMVLLJOX-WXGDAXOSSA-N. The full InChI is InChI=1S/C32H34N4O4/c37-29-19-17-23-11-7-9-13-25(23)27(29)21-33-35-31(39)15-5-3-1-2-4-6-16-32(40)36-34-22-28-26-14-10-8-12-24(26)18-20-30(28)38/h7-14,17-22,37-38H,1-6,15-16H2,(H,35,39)(H,36,40)/b33-21+,34-22+.
What are the key properties of N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]decanediamide?
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]decanediamide has a molecular weight of 538.65 g/mol, XLogP of 6.13, 13 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]decanediamide is sourced from PubChem (CID 135683333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).