N-[2-[[4-[2-(4-methoxyphenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide

C24H25N3O6 — CID 121062881

IUPACN-[2-[[4-[2-(4-methoxyphenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide
SMILESCOc1ccc(OC(C)C(=O)Nc2ccc(C(=O)NCCNC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C24H25N3O6/c1-16(33-20-11-9-19(31-2)10-12-20)22(28)27-18-7-5-17(6-8-18)23(29)25-13-14-26-24(30)21-4-3-15-32-21/h3-12,15-16H,13-14H2,1-2H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyDPHASQRLQADPIG-UHFFFAOYSA-N
MW451.48 g/mol
LogP2.85
Rot. Bonds10

About N-[2-[[4-[2-(4-methoxyphenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide

N-[2-[[4-[2-(4-methoxyphenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide (PubChem CID 121062881) has the molecular formula C24H25N3O6 and a molecular weight of 451.48 g/mol. Its IUPAC name is N-[2-[[4-[2-(4-methoxyphenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[2-(4-methoxyphenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide
PubChem CID121062881
Molecular FormulaC24H25N3O6
Molecular Weight451.48 g/mol
Exact Mass451.17
IUPAC NameN-[2-[[4-[2-(4-methoxyphenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide
SMILESCOc1ccc(OC(C)C(=O)Nc2ccc(C(=O)NCCNC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C24H25N3O6/c1-16(33-20-11-9-19(31-2)10-12-20)22(28)27-18-7-5-17(6-8-18)23(29)25-13-14-26-24(30)21-4-3-15-32-21/h3-12,15-16H,13-14H2,1-2H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyDPHASQRLQADPIG-UHFFFAOYSA-N
XLogP2.85
TPSA118.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[[4-[2-(4-methoxyphenoxy)propanoylamino]benzoyl]amino]ethyl]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-[2-[[4-(2-phenoxypropanoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062862
N-[4-[2-(4-methoxyphenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 51327622
N-[2-[[4-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062763
N-[2-[[4-[2-(2,4-dichlorophenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062746
4-[2-(4-methoxyphenoxy)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55504736
N-[4-[2-(4-phenylphenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 46686822
N-(2-methoxyethyl)-4-(2-phenoxypropanoylamino)benzamide
CID 17218253
N-[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55589199
N-(2-acetamidoethyl)-4-[2-(4-fluorophenoxy)propanoylamino]benzamide
CID 121062171
N-(2-methoxyethyl)-4-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 17218246
4-[2-(4-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 17218257
4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid
CID 719424

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[2-(4-methoxyphenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[4-[2-(4-methoxyphenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide (CID 121062881) is N-[2-[[4-[2-(4-methoxyphenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[4-[2-(4-methoxyphenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[4-[2-(4-methoxyphenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide is COc1ccc(OC(C)C(=O)Nc2ccc(C(=O)NCCNC(=O)c3ccco3)cc2)cc1.
What is the InChIKey of N-[2-[[4-[2-(4-methoxyphenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is DPHASQRLQADPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6/c1-16(33-20-11-9-19(31-2)10-12-20)22(28)27-18-7-5-17(6-8-18)23(29)25-13-14-26-24(30)21-4-3-15-32-21/h3-12,15-16H,13-14H2,1-2H3,(H,25,29)(H,26,30)(H,27,28).
What are the key properties of N-[2-[[4-[2-(4-methoxyphenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[4-[2-(4-methoxyphenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 2.85, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[2-(4-methoxyphenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 121062881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).