N,N-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide

C17H20N2O2 — CID 115466121

IUPACN,N-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide
SMILESCN(C)C(=O)c1ccc(NC2CCCc3occc32)cc1
InChIInChI=1S/C17H20N2O2/c1-19(2)17(20)12-6-8-13(9-7-12)18-15-4-3-5-16-14(15)10-11-21-16/h6-11,15,18H,3-5H2,1-2H3
InChIKeyWVSDKCIJJKBNGC-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.47
Rot. Bonds3

About N,N-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide

N,N-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide (PubChem CID 115466121) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N,N-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide
PubChem CID115466121
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN,N-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide
SMILESCN(C)C(=O)c1ccc(NC2CCCc3occc32)cc1
InChIInChI=1S/C17H20N2O2/c1-19(2)17(20)12-6-8-13(9-7-12)18-15-4-3-5-16-14(15)10-11-21-16/h6-11,15,18H,3-5H2,1-2H3
InChIKeyWVSDKCIJJKBNGC-UHFFFAOYSA-N
XLogP3.47
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide?
The IUPAC name of N,N-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide (CID 115466121) is N,N-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide.
What is the SMILES notation for N,N-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide?
The canonical SMILES for N,N-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide is CN(C)C(=O)c1ccc(NC2CCCc3occc32)cc1.
What is the InChIKey of N,N-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide?
The InChIKey is WVSDKCIJJKBNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-19(2)17(20)12-6-8-13(9-7-12)18-15-4-3-5-16-14(15)10-11-21-16/h6-11,15,18H,3-5H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide?
N,N-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide has a molecular weight of 284.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)benzamide is sourced from PubChem (CID 115466121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).