N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl]furan-2-carboxamide

C25H31N3O4 — CID 42817244

IUPACN-[4-(dimethylamino)-3-[[2-ethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl]furan-2-carboxamide
SMILESCCC(CC)C(=O)N(Cc1ccco1)Cc1cc(NC(=O)c2ccco2)ccc1N(C)C
InChIInChI=1S/C25H31N3O4/c1-5-18(6-2)25(30)28(17-21-9-7-13-31-21)16-19-15-20(11-12-22(19)27(3)4)26-24(29)23-10-8-14-32-23/h7-15,18H,5-6,16-17H2,1-4H3,(H,26,29)
InChIKeyFPLIXKWHTYAILX-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.16
Rot. Bonds10

About N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl]furan-2-carboxamide

N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 42817244) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3-[[2-ethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl]furan-2-carboxamide
PubChem CID42817244
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC NameN-[4-(dimethylamino)-3-[[2-ethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl]furan-2-carboxamide
SMILESCCC(CC)C(=O)N(Cc1ccco1)Cc1cc(NC(=O)c2ccco2)ccc1N(C)C
InChIInChI=1S/C25H31N3O4/c1-5-18(6-2)25(30)28(17-21-9-7-13-31-21)16-19-15-20(11-12-22(19)27(3)4)26-24(29)23-10-8-14-32-23/h7-15,18H,5-6,16-17H2,1-4H3,(H,26,29)
InChIKeyFPLIXKWHTYAILX-UHFFFAOYSA-N
XLogP5.16
TPSA78.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(furan-2-ylmethyl)amino]methyl]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-[3-[[tert-butylcarbamoyl(furan-2-ylmethyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide
CID 46138547
N-[4-(dimethylamino)-3-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]phenyl]-2-methylpropanamide
CID 42815648
N-[3-amino-4-(dimethylamino)phenyl]furan-2-carboxamide
CID 91676109
N-[4-(dimethylamino)-3-[[ethylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl]thiophene-2-carboxamide
CID 42817220
N-[4-(dimethylamino)-3-[[[(2S)-3-methylbutan-2-yl]-[(2R)-2-phenylbutanoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 93129415
N-[4-(dimethylamino)-3-[[2,2-dimethylpropanoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]furan-2-carboxamide
CID 42816360
N-[[2-(dimethylamino)-5-[(2-methoxyacetyl)amino]phenyl]methyl]-N-(furan-2-ylmethyl)propanamide
CID 42816831
N-[4-(dimethylamino)-3-[[furan-2-ylmethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl]thiophene-2-carboxamide
CID 46138548
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 46137649
N-[3-[[acetyl(oxolan-2-ylmethyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide
CID 46138386
N-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-ethyl-N-[(3-fluorophenyl)methyl]butanamide
CID 42817574
N-[3-amino-4-(diethylamino)phenyl]furan-2-carboxamide
CID 91676108

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl]furan-2-carboxamide (CID 42817244) is N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl]furan-2-carboxamide is CCC(CC)C(=O)N(Cc1ccco1)Cc1cc(NC(=O)c2ccco2)ccc1N(C)C.
What is the InChIKey of N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is FPLIXKWHTYAILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-5-18(6-2)25(30)28(17-21-9-7-13-31-21)16-19-15-20(11-12-22(19)27(3)4)26-24(29)23-10-8-14-32-23/h7-15,18H,5-6,16-17H2,1-4H3,(H,26,29).
What are the key properties of N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl]furan-2-carboxamide?
N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 5.16, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 42817244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).