N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide

C30H30N4O6 — CID 4938791

IUPACN,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
SMILESO=C(CCCCC(=O)Nc1ccccc1C(=O)NCc1ccco1)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C30H30N4O6/c35-27(33-25-13-3-1-11-23(25)29(37)31-19-21-9-7-17-39-21)15-5-6-16-28(36)34-26-14-4-2-12-24(26)30(38)32-20-22-10-8-18-40-22/h1-4,7-14,17-18H,5-6,15-16,19-20H2,(H,31,37)(H,32,38)(H,33,35)(H,34,36)
InChIKeyJAMRWMYKQSKLDL-UHFFFAOYSA-N
MW542.59 g/mol
LogP4.87
Rot. Bonds13

About N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide

N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide (PubChem CID 4938791) has the molecular formula C30H30N4O6 and a molecular weight of 542.59 g/mol. Its IUPAC name is N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
PubChem CID4938791
Molecular FormulaC30H30N4O6
Molecular Weight542.59 g/mol
Exact Mass542.22
IUPAC NameN,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
SMILESO=C(CCCCC(=O)Nc1ccccc1C(=O)NCc1ccco1)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C30H30N4O6/c35-27(33-25-13-3-1-11-23(25)29(37)31-19-21-9-7-17-39-21)15-5-6-16-28(36)34-26-14-4-2-12-24(26)30(38)32-20-22-10-8-18-40-22/h1-4,7-14,17-18H,5-6,15-16,19-20H2,(H,31,37)(H,32,38)(H,33,35)(H,34,36)
InChIKeyJAMRWMYKQSKLDL-UHFFFAOYSA-N
XLogP4.87
TPSA142.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.59
LogP ≤ 54.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide
CID 36859009
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 55772978
2-(3-cyclopentylpropanoylamino)-N-(furan-2-ylmethyl)benzamide
CID 16576953
2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate
CID 17339123
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778
N-[4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutyl]adamantane-1-carboxamide
CID 24563028
N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 51188549
N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 51283919
2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 8684008
2-[[2-(3-bromophenyl)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 100698722
N-(furan-2-ylmethyl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzamide
CID 34653312

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide?
The IUPAC name of N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide (CID 4938791) is N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide.
What is the SMILES notation for N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide?
The canonical SMILES for N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide is O=C(CCCCC(=O)Nc1ccccc1C(=O)NCc1ccco1)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide?
The InChIKey is JAMRWMYKQSKLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O6/c35-27(33-25-13-3-1-11-23(25)29(37)31-19-21-9-7-17-39-21)15-5-6-16-28(36)34-26-14-4-2-12-24(26)30(38)32-20-22-10-8-18-40-22/h1-4,7-14,17-18H,5-6,15-16,19-20H2,(H,31,37)(H,32,38)(H,33,35)(H,34,36).
What are the key properties of N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide?
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide has a molecular weight of 542.59 g/mol, XLogP of 4.87, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide is sourced from PubChem (CID 4938791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).