N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide

C17H23N3O3 — CID 42815461

IUPACN-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCN(Cc1cc(N)ccc1N(C)C)C(=O)c1ccco1
InChIInChI=1S/C17H23N3O3/c1-19(2)15-7-6-14(18)11-13(15)12-20(8-10-22-3)17(21)16-5-4-9-23-16/h4-7,9,11H,8,10,12,18H2,1-3H3
InChIKeyXYVYPVUVADKAET-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.22
Rot. Bonds7

About N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide

N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide (PubChem CID 42815461) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide
PubChem CID42815461
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCN(Cc1cc(N)ccc1N(C)C)C(=O)c1ccco1
InChIInChI=1S/C17H23N3O3/c1-19(2)15-7-6-14(18)11-13(15)12-20(8-10-22-3)17(21)16-5-4-9-23-16/h4-7,9,11H,8,10,12,18H2,1-3H3
InChIKeyXYVYPVUVADKAET-UHFFFAOYSA-N
XLogP2.22
TPSA71.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)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-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42815460
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42815459
N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 3216949
N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 3216916
N-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]-N-propylfuran-2-carboxamide
CID 83273891
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)methanesulfonamide
CID 42815568
[4-[[furan-2-carbonyl(2-methoxyethyl)amino]methyl]phenyl] propane-2-sulfonate
CID 42811467
N-(2-methoxyethyl)-N-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]furan-2-carboxamide
CID 3227710
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 46137649
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-3-methyl-N-propylbenzamide
CID 42815515
N-(2-methoxyethyl)-N-pentan-3-ylfuran-2-carboxamide
CID 60791660
methyl 2-[[furan-2-carbonyl(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 5039854

Frequently Asked Questions

What is the IUPAC name of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The IUPAC name of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide (CID 42815461) is N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide.
What is the SMILES notation for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The canonical SMILES for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide is COCCN(Cc1cc(N)ccc1N(C)C)C(=O)c1ccco1.
What is the InChIKey of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The InChIKey is XYVYPVUVADKAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-19(2)15-7-6-14(18)11-13(15)12-20(8-10-22-3)17(21)16-5-4-9-23-16/h4-7,9,11H,8,10,12,18H2,1-3H3.
What are the key properties of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide?
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide is sourced from PubChem (CID 42815461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).