N,N'-bis(anthracen-9-ylmethyl)hexanediamide

C36H32N2O2 — CID 101246175

IUPACN,N'-bis(anthracen-9-ylmethyl)hexanediamide
SMILESO=C(CCCCC(=O)NCc1c2ccccc2cc2ccccc12)NCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C36H32N2O2/c39-35(37-23-33-29-15-5-1-11-25(29)21-26-12-2-6-16-30(26)33)19-9-10-20-36(40)38-24-34-31-17-7-3-13-27(31)22-28-14-4-8-18-32(28)34/h1-8,11-18,21-22H,9-10,19-20,23-24H2,(H,37,39)(H,38,40)
InChIKeyKGGVWIJFQZBNDH-UHFFFAOYSA-N
MW524.66 g/mol
LogP7.79
Rot. Bonds9

About N,N'-bis(anthracen-9-ylmethyl)hexanediamide

N,N'-bis(anthracen-9-ylmethyl)hexanediamide (PubChem CID 101246175) has the molecular formula C36H32N2O2 and a molecular weight of 524.66 g/mol. Its IUPAC name is N,N'-bis(anthracen-9-ylmethyl)hexanediamide.

Molecular Properties

Compound NameN,N'-bis(anthracen-9-ylmethyl)hexanediamide
PubChem CID101246175
Molecular FormulaC36H32N2O2
Molecular Weight524.66 g/mol
Exact Mass524.25
IUPAC NameN,N'-bis(anthracen-9-ylmethyl)hexanediamide
SMILESO=C(CCCCC(=O)NCc1c2ccccc2cc2ccccc12)NCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C36H32N2O2/c39-35(37-23-33-29-15-5-1-11-25(29)21-26-12-2-6-16-30(26)33)19-9-10-20-36(40)38-24-34-31-17-7-3-13-27(31)22-28-14-4-8-18-32(28)34/h1-8,11-18,21-22H,9-10,19-20,23-24H2,(H,37,39)(H,38,40)
InChIKeyKGGVWIJFQZBNDH-UHFFFAOYSA-N
XLogP7.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.66
LogP ≤ 57.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N,N'-bis(anthracen-9-ylmethyl)hexanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[2-[3-[2-(anthracen-9-ylmethylamino)-2-oxoethyl]phenyl]acetyl]amino]propyl]anthracene-9-carboxamide
CID 101355576
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
methyl 3-[2-[3-[2-[3-[2-[[2-(anthracen-9-ylmethylamino)-2-oxoacetyl]amino]ethyl-[3-[2-[bis[3-[2-[bis(3-methoxy-3-oxopropyl)amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl-[3-[2-[bis(3-methoxy-3-oxopropyl)amino]ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 101164627
tert-butyl N-[4-(3-anthracen-9-ylpropanoylamino)butyl]carbamate
CID 102371145
N-(anthracen-9-ylmethyl)-2-(5,5,10,10,15,15,20,20-octamethyl-21,22,23,24-tetrahydroporphyrin-2-yl)acetamide
CID 101040103
N-[2-[2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]decanamide
CID 4142604
N-benzylundecanamide
CID 5078198
N-benzyl-6-oxohexanamide
CID 172715262
3-hydroxy-N-(naphthalen-2-ylmethyl)propanamide
CID 115139108
6-(anthracen-9-ylmethylamino)hexan-1-ol
CID 11404042
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
anthracen-9-ylmethyloxidanium
CID 143222944

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(anthracen-9-ylmethyl)hexanediamide?
The IUPAC name of N,N'-bis(anthracen-9-ylmethyl)hexanediamide (CID 101246175) is N,N'-bis(anthracen-9-ylmethyl)hexanediamide.
What is the SMILES notation for N,N'-bis(anthracen-9-ylmethyl)hexanediamide?
The canonical SMILES for N,N'-bis(anthracen-9-ylmethyl)hexanediamide is O=C(CCCCC(=O)NCc1c2ccccc2cc2ccccc12)NCc1c2ccccc2cc2ccccc12.
What is the InChIKey of N,N'-bis(anthracen-9-ylmethyl)hexanediamide?
The InChIKey is KGGVWIJFQZBNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N2O2/c39-35(37-23-33-29-15-5-1-11-25(29)21-26-12-2-6-16-30(26)33)19-9-10-20-36(40)38-24-34-31-17-7-3-13-27(31)22-28-14-4-8-18-32(28)34/h1-8,11-18,21-22H,9-10,19-20,23-24H2,(H,37,39)(H,38,40).
What are the key properties of N,N'-bis(anthracen-9-ylmethyl)hexanediamide?
N,N'-bis(anthracen-9-ylmethyl)hexanediamide has a molecular weight of 524.66 g/mol, XLogP of 7.79, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(anthracen-9-ylmethyl)hexanediamide is sourced from PubChem (CID 101246175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).