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

C29H28N4O4 — CID 3500050

IUPACN,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide
SMILESO=C(CCCCCC(=O)NN=Cc1c(O)ccc2ccccc12)NN=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C29H28N4O4/c34-26-16-14-20-8-4-6-10-22(20)24(26)18-30-32-28(36)12-2-1-3-13-29(37)33-31-19-25-23-11-7-5-9-21(23)15-17-27(25)35/h4-11,14-19,34-35H,1-3,12-13H2,(H,32,36)(H,33,37)
InChIKeyRIRAZSPOHCHAPW-UHFFFAOYSA-N
MW496.57 g/mol
LogP4.96
Rot. Bonds10

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

N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide (PubChem CID 3500050) has the molecular formula C29H28N4O4 and a molecular weight of 496.57 g/mol. Its IUPAC name is N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide.

Molecular Properties

Compound NameN,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide
PubChem CID3500050
Molecular FormulaC29H28N4O4
Molecular Weight496.57 g/mol
Exact Mass496.21
IUPAC NameN,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide
SMILESO=C(CCCCCC(=O)NN=Cc1c(O)ccc2ccccc12)NN=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C29H28N4O4/c34-26-16-14-20-8-4-6-10-22(20)24(26)18-30-32-28(36)12-2-1-3-13-29(37)33-31-19-25-23-11-7-5-9-21(23)15-17-27(25)35/h4-11,14-19,34-35H,1-3,12-13H2,(H,32,36)(H,33,37)
InChIKeyRIRAZSPOHCHAPW-UHFFFAOYSA-N
XLogP4.96
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 54.96
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[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
CID 135616078
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-(2-fluorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]butanediamide
CID 135684747
N-(4-fluorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]butanediamide
CID 135562382
methyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 135588910

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide?
The IUPAC name of N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide (CID 3500050) is N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide.
What is the SMILES notation for N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide?
The canonical SMILES for N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide is O=C(CCCCCC(=O)NN=Cc1c(O)ccc2ccccc12)NN=Cc1c(O)ccc2ccccc12.
What is the InChIKey of N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide?
The InChIKey is RIRAZSPOHCHAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O4/c34-26-16-14-20-8-4-6-10-22(20)24(26)18-30-32-28(36)12-2-1-3-13-29(37)33-31-19-25-23-11-7-5-9-21(23)15-17-27(25)35/h4-11,14-19,34-35H,1-3,12-13H2,(H,32,36)(H,33,37).
What are the key properties of N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide?
N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide has a molecular weight of 496.57 g/mol, XLogP of 4.96, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]heptanediamide is sourced from PubChem (CID 3500050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).