N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide

C24H26N2O5 — CID 1441351

IUPACN-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide
SMILESCCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)CCc1ccccc1
InChIInChI=1S/C24H26N2O5/c1-3-29-21-16-19(26-24(28)20-11-8-14-31-20)22(30-4-2)15-18(21)25-23(27)13-12-17-9-6-5-7-10-17/h5-11,14-16H,3-4,12-13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyGZFWTYROHRGTEZ-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.90
Rot. Bonds10

About N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide

N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide (PubChem CID 1441351) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide
PubChem CID1441351
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC NameN-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide
SMILESCCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)CCc1ccccc1
InChIInChI=1S/C24H26N2O5/c1-3-29-21-16-19(26-24(28)20-11-8-14-31-20)22(30-4-2)15-18(21)25-23(27)13-12-17-9-6-5-7-10-17/h5-11,14-16H,3-4,12-13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyGZFWTYROHRGTEZ-UHFFFAOYSA-N
XLogP4.90
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]carbamoyl]benzoic acid
CID 1374341
4-bromo-N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]benzamide
CID 23800683
ethyl 2-[2,5-diethoxy-4-(furan-2-carbonylamino)anilino]-2-oxoacetate
CID 3186760
N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 19221311
N-[2,5-diethoxy-4-[(4-fluorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 1176514
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126
N-[3-[3-(2-ethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide
CID 32708292
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 18209443
N-[2,5-diethoxy-4-(3-thiophen-3-ylpropanoylamino)phenyl]benzamide
CID 18282158
N-[3-hydroxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide
CID 17359487
N-(4,5-diethoxy-2-nitrophenyl)-3-phenylpropanamide
CID 86912979
N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265923

Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide (CID 1441351) is N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide is CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)CCc1ccccc1.
What is the InChIKey of N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide?
The InChIKey is GZFWTYROHRGTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-3-29-21-16-19(26-24(28)20-11-8-14-31-20)22(30-4-2)15-18(21)25-23(27)13-12-17-9-6-5-7-10-17/h5-11,14-16H,3-4,12-13H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide?
N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide has a molecular weight of 422.48 g/mol, XLogP of 4.90, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 1441351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).