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

C18H24N2O2 — CID 39834735

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide
SMILESCC(C)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1
InChIInChI=1S/C18H24N2O2/c1-14(2)18(21)20(13-17-6-5-11-22-17)12-15-7-9-16(10-8-15)19(3)4/h5-11,14H,12-13H2,1-4H3
InChIKeyNPGVMAQGWGJLDI-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.53
Rot. Bonds6

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

N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide (PubChem CID 39834735) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide
PubChem CID39834735
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide
SMILESCC(C)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1
InChIInChI=1S/C18H24N2O2/c1-14(2)18(21)20(13-17-6-5-11-22-17)12-15-7-9-16(10-8-15)19(3)4/h5-11,14H,12-13H2,1-4H3
InChIKeyNPGVMAQGWGJLDI-UHFFFAOYSA-N
XLogP3.53
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.53
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)-2,2-dimethylpropanamide
CID 770757
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
CID 60682717
N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)dodecanamide
CID 42707913
N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
CID 2975752
N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 4085276
N-[[4-(dimethylamino)phenyl]methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 18861229
N-[4-(dimethylamino)-3-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]phenyl]-2-methylpropanamide
CID 42815648
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide
CID 3988895
3-cyclooctyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(furan-2-ylmethyl)thiourea
CID 17065435
2-amino-N,N-bis(furan-2-ylmethyl)-3-methylpentanamide
CID 60938301
N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide
CID 107024393
N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 18830852

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide (CID 39834735) is N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide is CC(C)C(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide?
The InChIKey is NPGVMAQGWGJLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-14(2)18(21)20(13-17-6-5-11-22-17)12-15-7-9-16(10-8-15)19(3)4/h5-11,14H,12-13H2,1-4H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide has a molecular weight of 300.40 g/mol, XLogP of 3.53, 6 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-methylpropanamide is sourced from PubChem (CID 39834735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).