N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide

C23H26N2O2 — CID 131922153

IUPACN-[[3-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)N(C)Cc3cccc(CN(C)C)c3)cc2)o1
InChIInChI=1S/C23H26N2O2/c1-17-8-13-22(27-17)20-9-11-21(12-10-20)23(26)25(4)16-19-7-5-6-18(14-19)15-24(2)3/h5-14H,15-16H2,1-4H3
InChIKeyWQHDEHNKONUAEZ-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.59
Rot. Bonds6

About N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide

N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide (PubChem CID 131922153) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide.

Molecular Properties

Compound NameN-[[3-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide
PubChem CID131922153
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[[3-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)N(C)Cc3cccc(CN(C)C)c3)cc2)o1
InChIInChI=1S/C23H26N2O2/c1-17-8-13-22(27-17)20-9-11-21(12-10-20)23(26)25(4)16-19-7-5-6-18(14-19)15-24(2)3/h5-14H,15-16H2,1-4H3
InChIKeyWQHDEHNKONUAEZ-UHFFFAOYSA-N
XLogP4.59
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide?
The IUPAC name of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide (CID 131922153) is N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide.
What is the SMILES notation for N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide?
The canonical SMILES for N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide is Cc1ccc(-c2ccc(C(=O)N(C)Cc3cccc(CN(C)C)c3)cc2)o1.
What is the InChIKey of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide?
The InChIKey is WQHDEHNKONUAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-17-8-13-22(27-17)20-9-11-21(12-10-20)23(26)25(4)16-19-7-5-6-18(14-19)15-24(2)3/h5-14H,15-16H2,1-4H3.
What are the key properties of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide?
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide has a molecular weight of 362.47 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-4-(5-methylfuran-2-yl)benzamide is sourced from PubChem (CID 131922153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).