N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-5-phenoxyfuran-2-carboxamide

C22H24N2O3 — CID 166223936

IUPACN-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-5-phenoxyfuran-2-carboxamide
SMILESCN(C)Cc1ccc(CN(C)C(=O)c2ccc(Oc3ccccc3)o2)cc1
InChIInChI=1S/C22H24N2O3/c1-23(2)15-17-9-11-18(12-10-17)16-24(3)22(25)20-13-14-21(27-20)26-19-7-5-4-6-8-19/h4-14H,15-16H2,1-3H3
InChIKeyWYWSTAKXVGWIIC-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.41
Rot. Bonds7

About N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-5-phenoxyfuran-2-carboxamide

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-5-phenoxyfuran-2-carboxamide (PubChem CID 166223936) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-5-phenoxyfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-5-phenoxyfuran-2-carboxamide
PubChem CID166223936
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-5-phenoxyfuran-2-carboxamide
SMILESCN(C)Cc1ccc(CN(C)C(=O)c2ccc(Oc3ccccc3)o2)cc1
InChIInChI=1S/C22H24N2O3/c1-23(2)15-17-9-11-18(12-10-17)16-24(3)22(25)20-13-14-21(27-20)26-19-7-5-4-6-8-19/h4-14H,15-16H2,1-3H3
InChIKeyWYWSTAKXVGWIIC-UHFFFAOYSA-N
XLogP4.41
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-phenoxyfuran-2-carboxamide
CID 56741232
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-5-phenoxyfuran-2-carboxamide
CID 110003438
N-benzyl-N-methyl-2-phenoxybenzamide
CID 3401624
[4-[(dimethylamino)methyl]phenyl]methyl-methylcarbamic acid
CID 170154871
5-phenoxy-N-(2-phenylethyl)furan-2-carboxamide
CID 75361139
N-[3-(methylamino)propyl]-5-phenoxyfuran-2-carboxamide
CID 119431846
N-methyl-5-phenoxy-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 95216320
carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
N-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 51147848
(2R)-2-hydroxy-N-methyl-N-[(4-phenoxyphenyl)methyl]propanamide
CID 70764862
1-benzyl-1-methyl-3-(phenoxymethyl)urea
CID 108888867
N-benzyl-N,4,5-trimethylfuran-2-carboxamide
CID 110697616

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-5-phenoxyfuran-2-carboxamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-5-phenoxyfuran-2-carboxamide (CID 166223936) is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-5-phenoxyfuran-2-carboxamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-5-phenoxyfuran-2-carboxamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-5-phenoxyfuran-2-carboxamide is CN(C)Cc1ccc(CN(C)C(=O)c2ccc(Oc3ccccc3)o2)cc1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-5-phenoxyfuran-2-carboxamide?
The InChIKey is WYWSTAKXVGWIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-23(2)15-17-9-11-18(12-10-17)16-24(3)22(25)20-13-14-21(27-20)26-19-7-5-4-6-8-19/h4-14H,15-16H2,1-3H3.
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-5-phenoxyfuran-2-carboxamide?
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-5-phenoxyfuran-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-5-phenoxyfuran-2-carboxamide is sourced from PubChem (CID 166223936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).