N-[2-[[4-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide

C24H23N3O7 — CID 121062763

IUPACN-[2-[[4-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide
SMILESCC(Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C24H23N3O7/c1-15(34-18-8-9-19-21(13-18)33-14-32-19)22(28)27-17-6-4-16(5-7-17)23(29)25-10-11-26-24(30)20-3-2-12-31-20/h2-9,12-13,15H,10-11,14H2,1H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyICYDOANSNYDSEQ-UHFFFAOYSA-N
MW465.46 g/mol
LogP2.57
Rot. Bonds9

About N-[2-[[4-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide

N-[2-[[4-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide (PubChem CID 121062763) has the molecular formula C24H23N3O7 and a molecular weight of 465.46 g/mol. Its IUPAC name is N-[2-[[4-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide
PubChem CID121062763
Molecular FormulaC24H23N3O7
Molecular Weight465.46 g/mol
Exact Mass465.15
IUPAC NameN-[2-[[4-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide
SMILESCC(Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C24H23N3O7/c1-15(34-18-8-9-19-21(13-18)33-14-32-19)22(28)27-17-6-4-16(5-7-17)23(29)25-10-11-26-24(30)20-3-2-12-31-20/h2-9,12-13,15H,10-11,14H2,1H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyICYDOANSNYDSEQ-UHFFFAOYSA-N
XLogP2.57
TPSA128.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-[[4-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-[[4-[2-(4-methoxyphenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062881
N-[2-[[4-(2-phenoxypropanoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062862
N-[2-[[4-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]benzoyl]amino]ethyl]thiophene-2-carboxamide
CID 121062928
N-[4-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxyphenyl]furan-2-carboxamide
CID 41324439
N-[2-[[4-[2-(2,4-dichlorophenoxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062746
2-(1,3-benzodioxol-5-yloxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17475615
N-(1,3-benzodioxol-5-yl)-2-(3-ethylphenoxy)propanamide
CID 53266903
N-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 9273872
N-[4-[2-(4-methoxyphenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 51327622
2-(1,3-benzodioxol-5-yloxy)-N-(3,4-dichlorophenyl)propanamide
CID 45147837
N-[4-[2-(4-phenylphenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 46686822
N-[2-[[4-[(3,4-diethoxybenzoyl)amino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062797

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[4-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide (CID 121062763) is N-[2-[[4-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[4-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[4-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide is CC(Oc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-[[4-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is ICYDOANSNYDSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O7/c1-15(34-18-8-9-19-21(13-18)33-14-32-19)22(28)27-17-6-4-16(5-7-17)23(29)25-10-11-26-24(30)20-3-2-12-31-20/h2-9,12-13,15H,10-11,14H2,1H3,(H,25,29)(H,26,30)(H,27,28).
What are the key properties of N-[2-[[4-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[4-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 465.46 g/mol, XLogP of 2.57, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[2-(1,3-benzodioxol-5-yloxy)propanoylamino]benzoyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 121062763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).