N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide

C19H26N2O2 — CID 770757

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide
SMILESCN(C)c1ccc(CN(Cc2ccco2)C(=O)C(C)(C)C)cc1
InChIInChI=1S/C19H26N2O2/c1-19(2,3)18(22)21(14-17-7-6-12-23-17)13-15-8-10-16(11-9-15)20(4)5/h6-12H,13-14H2,1-5H3
InChIKeyMXUMANBSDRUYSO-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.92
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide

N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide (PubChem CID 770757) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide
PubChem CID770757
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide
SMILESCN(C)c1ccc(CN(Cc2ccco2)C(=O)C(C)(C)C)cc1
InChIInChI=1S/C19H26N2O2/c1-19(2,3)18(22)21(14-17-7-6-12-23-17)13-15-8-10-16(11-9-15)20(4)5/h6-12H,13-14H2,1-5H3
InChIKeyMXUMANBSDRUYSO-UHFFFAOYSA-N
XLogP3.92
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 39834735
N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)dodecanamide
CID 42707913
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide
CID 3433525
N,N-bis(furan-2-ylmethyl)-2-methoxy-2-methylpropanamide
CID 103029007
N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
CID 2975752
N-[[4-(dimethylamino)phenyl]methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 18861229
3-cyclooctyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(furan-2-ylmethyl)thiourea
CID 17065435
N-(3-ethoxypropyl)-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 4186915
N-ethyl-N-(furan-2-ylmethyl)-2-hydroxy-2-methylpropanamide
CID 103429605
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
N-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 42706400
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 4249188

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide (CID 770757) is N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide is CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide?
The InChIKey is MXUMANBSDRUYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-19(2,3)18(22)21(14-17-7-6-12-23-17)13-15-8-10-16(11-9-15)20(4)5/h6-12H,13-14H2,1-5H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide has a molecular weight of 314.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 770757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).