N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide

C24H26N2O7 — CID 19448236

IUPACN-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
SMILESCC(C)c1ccc(OCc2ccc(C(=O)NC(CO)C(O)c3ccc([N+](=O)[O-])cc3)o2)cc1
InChIInChI=1S/C24H26N2O7/c1-15(2)16-5-9-19(10-6-16)32-14-20-11-12-22(33-20)24(29)25-21(13-27)23(28)17-3-7-18(8-4-17)26(30)31/h3-12,15,21,23,27-28H,13-14H2,1-2H3,(H,25,29)
InChIKeyOXPSVMIBOWTJRA-UHFFFAOYSA-N
MW454.48 g/mol
LogP3.71
Rot. Bonds10

About N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide

N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19448236) has the molecular formula C24H26N2O7 and a molecular weight of 454.48 g/mol. Its IUPAC name is N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
PubChem CID19448236
Molecular FormulaC24H26N2O7
Molecular Weight454.48 g/mol
Exact Mass454.17
IUPAC NameN-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
SMILESCC(C)c1ccc(OCc2ccc(C(=O)NC(CO)C(O)c3ccc([N+](=O)[O-])cc3)o2)cc1
InChIInChI=1S/C24H26N2O7/c1-15(2)16-5-9-19(10-6-16)32-14-20-11-12-22(33-20)24(29)25-21(13-27)23(28)17-3-7-18(8-4-17)26(30)31/h3-12,15,21,23,27-28H,13-14H2,1-2H3,(H,25,29)
InChIKeyOXPSVMIBOWTJRA-UHFFFAOYSA-N
XLogP3.71
TPSA135.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide 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-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19413168
ethyl (2R)-2-[[5-[(4-nitrophenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanylpropanoate
CID 19465420
N-[3-(4-chlorophenoxy)-5-nitrophenyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448138
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448118
N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
CID 4335
N-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446522
N-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448238
N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502703
N-(4-ethoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446544
2-chloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]propanamide
CID 23275537
5-[(2-chloro-4-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 19461875
N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 1011914

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide (CID 19448236) is N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide is CC(C)c1ccc(OCc2ccc(C(=O)NC(CO)C(O)c3ccc([N+](=O)[O-])cc3)o2)cc1.
What is the InChIKey of N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is OXPSVMIBOWTJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O7/c1-15(2)16-5-9-19(10-6-16)32-14-20-11-12-22(33-20)24(29)25-21(13-27)23(28)17-3-7-18(8-4-17)26(30)31/h3-12,15,21,23,27-28H,13-14H2,1-2H3,(H,25,29).
What are the key properties of N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 454.48 g/mol, XLogP of 3.71, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19448236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).