3-N,4-N-bis(2-ethyl-3-methoxy-4-phenylmethoxyphenyl)furan-3,4-dicarboxamide

C38H38N2O7 — CID 139807096

IUPAC3-N,4-N-bis(2-ethyl-3-methoxy-4-phenylmethoxyphenyl)furan-3,4-dicarboxamide
SMILESCCc1c(NC(=O)c2cocc2C(=O)Nc2ccc(OCc3ccccc3)c(OC)c2CC)ccc(OCc2ccccc2)c1OC
InChIInChI=1S/C38H38N2O7/c1-5-27-31(17-19-33(35(27)43-3)46-21-25-13-9-7-10-14-25)39-37(41)29-23-45-24-30(29)38(42)40-32-18-20-34(36(44-4)28(32)6-2)47-22-26-15-11-8-12-16-26/h7-20,23-24H,5-6,21-22H2,1-4H3,(H,39,41)(H,40,42)
InChIKeyHYLDTSHORQTUCZ-UHFFFAOYSA-N
MW634.73 g/mol
LogP8.08
Rot. Bonds14

About 3-N,4-N-bis(2-ethyl-3-methoxy-4-phenylmethoxyphenyl)furan-3,4-dicarboxamide

3-N,4-N-bis(2-ethyl-3-methoxy-4-phenylmethoxyphenyl)furan-3,4-dicarboxamide (PubChem CID 139807096) has the molecular formula C38H38N2O7 and a molecular weight of 634.73 g/mol. Its IUPAC name is 3-N,4-N-bis(2-ethyl-3-methoxy-4-phenylmethoxyphenyl)furan-3,4-dicarboxamide.

Molecular Properties

Compound Name3-N,4-N-bis(2-ethyl-3-methoxy-4-phenylmethoxyphenyl)furan-3,4-dicarboxamide
PubChem CID139807096
Molecular FormulaC38H38N2O7
Molecular Weight634.73 g/mol
Exact Mass634.27
IUPAC Name3-N,4-N-bis(2-ethyl-3-methoxy-4-phenylmethoxyphenyl)furan-3,4-dicarboxamide
SMILESCCc1c(NC(=O)c2cocc2C(=O)Nc2ccc(OCc3ccccc3)c(OC)c2CC)ccc(OCc2ccccc2)c1OC
InChIInChI=1S/C38H38N2O7/c1-5-27-31(17-19-33(35(27)43-3)46-21-25-13-9-7-10-14-25)39-37(41)29-23-45-24-30(29)38(42)40-32-18-20-34(36(44-4)28(32)6-2)47-22-26-15-11-8-12-16-26/h7-20,23-24H,5-6,21-22H2,1-4H3,(H,39,41)(H,40,42)
InChIKeyHYLDTSHORQTUCZ-UHFFFAOYSA-N
XLogP8.08
TPSA108.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.73
LogP ≤ 58.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-ethyl-3-methoxy-4-phenylmethoxybenzamide
CID 154973812
2-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1328288
5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide
CID 17094328
methyl 6-acetyl-2-methoxy-3-phenylmethoxybenzoate
CID 91864043
(2,6-dimethoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride
CID 69114272
3-ethyl-2-iodo-5-methoxy-4-phenylmethoxybenzoic acid
CID 157224602
3-ethoxy-N-(2-methoxyphenyl)-4-phenylmethoxybenzamide
CID 126087524
(4-methoxy-3-phenylmethoxyphenyl)carbamic acid
CID 155170089
3-chloro-2-ethyl-4-phenylmethoxybenzoic acid
CID 67182822
3-chloro-4-methoxy-N-(2-methoxyphenyl)-5-phenylmethoxybenzamide
CID 1008068
2-amino-N-cyclopropyl-3-methoxy-4-phenylmethoxybenzamide
CID 162701297
(2,3-diethyl-4-phenylmethoxyphenyl) dihydrogen phosphate
CID 21468984

Frequently Asked Questions

What is the IUPAC name of 3-N,4-N-bis(2-ethyl-3-methoxy-4-phenylmethoxyphenyl)furan-3,4-dicarboxamide?
The IUPAC name of 3-N,4-N-bis(2-ethyl-3-methoxy-4-phenylmethoxyphenyl)furan-3,4-dicarboxamide (CID 139807096) is 3-N,4-N-bis(2-ethyl-3-methoxy-4-phenylmethoxyphenyl)furan-3,4-dicarboxamide.
What is the SMILES notation for 3-N,4-N-bis(2-ethyl-3-methoxy-4-phenylmethoxyphenyl)furan-3,4-dicarboxamide?
The canonical SMILES for 3-N,4-N-bis(2-ethyl-3-methoxy-4-phenylmethoxyphenyl)furan-3,4-dicarboxamide is CCc1c(NC(=O)c2cocc2C(=O)Nc2ccc(OCc3ccccc3)c(OC)c2CC)ccc(OCc2ccccc2)c1OC.
What is the InChIKey of 3-N,4-N-bis(2-ethyl-3-methoxy-4-phenylmethoxyphenyl)furan-3,4-dicarboxamide?
The InChIKey is HYLDTSHORQTUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N2O7/c1-5-27-31(17-19-33(35(27)43-3)46-21-25-13-9-7-10-14-25)39-37(41)29-23-45-24-30(29)38(42)40-32-18-20-34(36(44-4)28(32)6-2)47-22-26-15-11-8-12-16-26/h7-20,23-24H,5-6,21-22H2,1-4H3,(H,39,41)(H,40,42).
What are the key properties of 3-N,4-N-bis(2-ethyl-3-methoxy-4-phenylmethoxyphenyl)furan-3,4-dicarboxamide?
3-N,4-N-bis(2-ethyl-3-methoxy-4-phenylmethoxyphenyl)furan-3,4-dicarboxamide has a molecular weight of 634.73 g/mol, XLogP of 8.08, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-N-bis(2-ethyl-3-methoxy-4-phenylmethoxyphenyl)furan-3,4-dicarboxamide is sourced from PubChem (CID 139807096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).