N-[4-(3-ethoxypropylcarbamoyl)-2-(furan-2-carbonylamino)phenyl]furan-2-carboxamide

C22H23N3O6 — CID 177047514

IUPACN-[4-(3-ethoxypropylcarbamoyl)-2-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
SMILESCCOCCCNC(=O)c1ccc(NC(=O)c2ccco2)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C22H23N3O6/c1-2-29-11-5-10-23-20(26)15-8-9-16(24-21(27)18-6-3-12-30-18)17(14-15)25-22(28)19-7-4-13-31-19/h3-4,6-9,12-14H,2,5,10-11H2,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyDHBBMKSFMYOYMK-UHFFFAOYSA-N
MW425.44 g/mol
LogP3.53
Rot. Bonds10

About N-[4-(3-ethoxypropylcarbamoyl)-2-(furan-2-carbonylamino)phenyl]furan-2-carboxamide

N-[4-(3-ethoxypropylcarbamoyl)-2-(furan-2-carbonylamino)phenyl]furan-2-carboxamide (PubChem CID 177047514) has the molecular formula C22H23N3O6 and a molecular weight of 425.44 g/mol. Its IUPAC name is N-[4-(3-ethoxypropylcarbamoyl)-2-(furan-2-carbonylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-ethoxypropylcarbamoyl)-2-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
PubChem CID177047514
Molecular FormulaC22H23N3O6
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC NameN-[4-(3-ethoxypropylcarbamoyl)-2-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
SMILESCCOCCCNC(=O)c1ccc(NC(=O)c2ccco2)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C22H23N3O6/c1-2-29-11-5-10-23-20(26)15-8-9-16(24-21(27)18-6-3-12-30-18)17(14-15)25-22(28)19-7-4-13-31-19/h3-4,6-9,12-14H,2,5,10-11H2,1H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyDHBBMKSFMYOYMK-UHFFFAOYSA-N
XLogP3.53
TPSA122.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-(3-ethoxypropylcarbamoyl)-2-(furan-2-carbonylamino)phenyl]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-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
CID 17475602
N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 17311579
N-[2-methyl-5-(nonylcarbamoyl)phenyl]furan-2-carboxamide
CID 55555001
N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 37398643
N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24540679
2-ethoxyethyl 4-(furan-2-carbonylamino)butanoate
CID 86914497
N-[2-methyl-5-(4-morpholin-4-ylbutylcarbamoyl)phenyl]furan-2-carboxamide
CID 55742434
N-[3-(2-bromoethoxy)propyl]furan-2-carboxamide
CID 106307618
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
3-(cyanomethyl)-N-(3-ethoxypropyl)benzamide
CID 82179019
N-[2-methyl-5-[(3-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 33279792
N-[5-(3-butoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 31303145

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-ethoxypropylcarbamoyl)-2-(furan-2-carbonylamino)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(3-ethoxypropylcarbamoyl)-2-(furan-2-carbonylamino)phenyl]furan-2-carboxamide (CID 177047514) is N-[4-(3-ethoxypropylcarbamoyl)-2-(furan-2-carbonylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(3-ethoxypropylcarbamoyl)-2-(furan-2-carbonylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(3-ethoxypropylcarbamoyl)-2-(furan-2-carbonylamino)phenyl]furan-2-carboxamide is CCOCCCNC(=O)c1ccc(NC(=O)c2ccco2)c(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[4-(3-ethoxypropylcarbamoyl)-2-(furan-2-carbonylamino)phenyl]furan-2-carboxamide?
The InChIKey is DHBBMKSFMYOYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6/c1-2-29-11-5-10-23-20(26)15-8-9-16(24-21(27)18-6-3-12-30-18)17(14-15)25-22(28)19-7-4-13-31-19/h3-4,6-9,12-14H,2,5,10-11H2,1H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-[4-(3-ethoxypropylcarbamoyl)-2-(furan-2-carbonylamino)phenyl]furan-2-carboxamide?
N-[4-(3-ethoxypropylcarbamoyl)-2-(furan-2-carbonylamino)phenyl]furan-2-carboxamide has a molecular weight of 425.44 g/mol, XLogP of 3.53, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-ethoxypropylcarbamoyl)-2-(furan-2-carbonylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 177047514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).