3-N,4-N-dihexyl-2,5-bis(4-hydroxy-3-methoxyphenyl)furan-3,4-dicarboxamide

C32H42N2O7 — CID 139773005

IUPAC3-N,4-N-dihexyl-2,5-bis(4-hydroxy-3-methoxyphenyl)furan-3,4-dicarboxamide
SMILESCCCCCCNC(=O)c1c(-c2ccc(O)c(OC)c2)oc(-c2ccc(O)c(OC)c2)c1C(=O)NCCCCCC
InChIInChI=1S/C32H42N2O7/c1-5-7-9-11-17-33-31(37)27-28(32(38)34-18-12-10-8-6-2)30(22-14-16-24(36)26(20-22)40-4)41-29(27)21-13-15-23(35)25(19-21)39-3/h13-16,19-20,35-36H,5-12,17-18H2,1-4H3,(H,33,37)(H,34,38)
InChIKeyCGHSRGAGEBXBEY-UHFFFAOYSA-N
MW566.70 g/mol
LogP6.66
Rot. Bonds16

About 3-N,4-N-dihexyl-2,5-bis(4-hydroxy-3-methoxyphenyl)furan-3,4-dicarboxamide

3-N,4-N-dihexyl-2,5-bis(4-hydroxy-3-methoxyphenyl)furan-3,4-dicarboxamide (PubChem CID 139773005) has the molecular formula C32H42N2O7 and a molecular weight of 566.70 g/mol. Its IUPAC name is 3-N,4-N-dihexyl-2,5-bis(4-hydroxy-3-methoxyphenyl)furan-3,4-dicarboxamide.

Molecular Properties

Compound Name3-N,4-N-dihexyl-2,5-bis(4-hydroxy-3-methoxyphenyl)furan-3,4-dicarboxamide
PubChem CID139773005
Molecular FormulaC32H42N2O7
Molecular Weight566.70 g/mol
Exact Mass566.30
IUPAC Name3-N,4-N-dihexyl-2,5-bis(4-hydroxy-3-methoxyphenyl)furan-3,4-dicarboxamide
SMILESCCCCCCNC(=O)c1c(-c2ccc(O)c(OC)c2)oc(-c2ccc(O)c(OC)c2)c1C(=O)NCCCCCC
InChIInChI=1S/C32H42N2O7/c1-5-7-9-11-17-33-31(37)27-28(32(38)34-18-12-10-8-6-2)30(22-14-16-24(36)26(20-22)40-4)41-29(27)21-13-15-23(35)25(19-21)39-3/h13-16,19-20,35-36H,5-12,17-18H2,1-4H3,(H,33,37)(H,34,38)
InChIKeyCGHSRGAGEBXBEY-UHFFFAOYSA-N
XLogP6.66
TPSA130.26 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.70
LogP ≤ 56.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-N,4-N-dihexyl-2,5-bis(4-hydroxy-3-methoxyphenyl)furan-3,4-dicarboxamide with MolForge

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Related Compounds

N-hexyl-4-hydroxy-3-methoxybenzamide
CID 177108145
N-hexyl-2,4,5-trimethoxybenzamide
CID 32646107
2-methoxy-N-tridecylbenzamide
CID 139819873
N-hexyl-7-methoxy-1-benzofuran-2-carboxamide
CID 78870029
N-hexyl-2,4,6-trihydroxybenzamide
CID 14837586
2-methoxy-4-[(nonylamino)methyl]phenol
CID 15788102
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
5-bromo-N-heptyl-2-methoxybenzamide
CID 17094234
2,3,4-trimethoxy-N-nonylbenzamide
CID 46549952
2-hydroxy-6-methoxy-N-propylbenzamide
CID 84579124
6-[(4-hydroxy-3-methoxybenzoyl)amino]hexanoic acid
CID 54200792

Frequently Asked Questions

What is the IUPAC name of 3-N,4-N-dihexyl-2,5-bis(4-hydroxy-3-methoxyphenyl)furan-3,4-dicarboxamide?
The IUPAC name of 3-N,4-N-dihexyl-2,5-bis(4-hydroxy-3-methoxyphenyl)furan-3,4-dicarboxamide (CID 139773005) is 3-N,4-N-dihexyl-2,5-bis(4-hydroxy-3-methoxyphenyl)furan-3,4-dicarboxamide.
What is the SMILES notation for 3-N,4-N-dihexyl-2,5-bis(4-hydroxy-3-methoxyphenyl)furan-3,4-dicarboxamide?
The canonical SMILES for 3-N,4-N-dihexyl-2,5-bis(4-hydroxy-3-methoxyphenyl)furan-3,4-dicarboxamide is CCCCCCNC(=O)c1c(-c2ccc(O)c(OC)c2)oc(-c2ccc(O)c(OC)c2)c1C(=O)NCCCCCC.
What is the InChIKey of 3-N,4-N-dihexyl-2,5-bis(4-hydroxy-3-methoxyphenyl)furan-3,4-dicarboxamide?
The InChIKey is CGHSRGAGEBXBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N2O7/c1-5-7-9-11-17-33-31(37)27-28(32(38)34-18-12-10-8-6-2)30(22-14-16-24(36)26(20-22)40-4)41-29(27)21-13-15-23(35)25(19-21)39-3/h13-16,19-20,35-36H,5-12,17-18H2,1-4H3,(H,33,37)(H,34,38).
What are the key properties of 3-N,4-N-dihexyl-2,5-bis(4-hydroxy-3-methoxyphenyl)furan-3,4-dicarboxamide?
3-N,4-N-dihexyl-2,5-bis(4-hydroxy-3-methoxyphenyl)furan-3,4-dicarboxamide has a molecular weight of 566.70 g/mol, XLogP of 6.66, 16 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-N-dihexyl-2,5-bis(4-hydroxy-3-methoxyphenyl)furan-3,4-dicarboxamide is sourced from PubChem (CID 139773005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).