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

C23H23N3O5 — CID 121062862

IUPACN-[2-[[4-(2-phenoxypropanoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C23H23N3O5/c1-16(31-19-6-3-2-4-7-19)21(27)26-18-11-9-17(10-12-18)22(28)24-13-14-25-23(29)20-8-5-15-30-20/h2-12,15-16H,13-14H2,1H3,(H,24,28)(H,25,29)(H,26,27)
InChIKeyMZNPZIKRFDNDTO-UHFFFAOYSA-N
MW421.45 g/mol
LogP2.85
Rot. Bonds9

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

N-[2-[[4-(2-phenoxypropanoylamino)benzoyl]amino]ethyl]furan-2-carboxamide (PubChem CID 121062862) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is N-[2-[[4-(2-phenoxypropanoylamino)benzoyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(2-phenoxypropanoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
PubChem CID121062862
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC NameN-[2-[[4-(2-phenoxypropanoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C23H23N3O5/c1-16(31-19-6-3-2-4-7-19)21(27)26-18-11-9-17(10-12-18)22(28)24-13-14-25-23(29)20-8-5-15-30-20/h2-12,15-16H,13-14H2,1H3,(H,24,28)(H,25,29)(H,26,27)
InChIKeyMZNPZIKRFDNDTO-UHFFFAOYSA-N
XLogP2.85
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[[4-(2-phenoxypropanoylamino)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-(4-methoxyphenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062881
N-[2-[[4-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062763
N-(2-methoxyethyl)-4-(2-phenoxypropanoylamino)benzamide
CID 17218253
N-[2-[[4-[2-(2,4-dichlorophenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062746
N-[4-[2-(4-phenylphenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 46686822
N-benzyl-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
CID 4252954
N-[4-[2-(4-methoxyphenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 51327622
N-[2-(2-phenoxypropanoylamino)phenyl]furan-2-carboxamide
CID 2993584
N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062902
N'-(2-phenoxypropanoyl)furan-2-carbohydrazide
CID 3693666
4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
CID 1365740
N-[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55589199

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(2-phenoxypropanoylamino)benzoyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[4-(2-phenoxypropanoylamino)benzoyl]amino]ethyl]furan-2-carboxamide (CID 121062862) is N-[2-[[4-(2-phenoxypropanoylamino)benzoyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[4-(2-phenoxypropanoylamino)benzoyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[4-(2-phenoxypropanoylamino)benzoyl]amino]ethyl]furan-2-carboxamide is CC(Oc1ccccc1)C(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-[[4-(2-phenoxypropanoylamino)benzoyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is MZNPZIKRFDNDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-16(31-19-6-3-2-4-7-19)21(27)26-18-11-9-17(10-12-18)22(28)24-13-14-25-23(29)20-8-5-15-30-20/h2-12,15-16H,13-14H2,1H3,(H,24,28)(H,25,29)(H,26,27).
What are the key properties of N-[2-[[4-(2-phenoxypropanoylamino)benzoyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[4-(2-phenoxypropanoylamino)benzoyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 421.45 g/mol, XLogP of 2.85, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(2-phenoxypropanoylamino)benzoyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 121062862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).