N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]prop-2-enamide

C17H20N2O2 — CID 21221648

IUPACN-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2oc3c(c2c1)CC(N(C)C)CC3
InChIInChI=1S/C17H20N2O2/c1-4-17(20)18-11-5-7-15-13(9-11)14-10-12(19(2)3)6-8-16(14)21-15/h4-5,7,9,12H,1,6,8,10H2,2-3H3,(H,18,20)
InChIKeyZJHKGOUJZCQECG-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.98
Rot. Bonds3

About N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]prop-2-enamide

N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]prop-2-enamide (PubChem CID 21221648) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]prop-2-enamide
PubChem CID21221648
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2oc3c(c2c1)CC(N(C)C)CC3
InChIInChI=1S/C17H20N2O2/c1-4-17(20)18-11-5-7-15-13(9-11)14-10-12(19(2)3)6-8-16(14)21-15/h4-5,7,9,12H,1,6,8,10H2,2-3H3,(H,18,20)
InChIKeyZJHKGOUJZCQECG-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]prop-2-enamide?
The IUPAC name of N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]prop-2-enamide (CID 21221648) is N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]prop-2-enamide.
What is the SMILES notation for N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]prop-2-enamide?
The canonical SMILES for N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]prop-2-enamide is C=CC(=O)Nc1ccc2oc3c(c2c1)CC(N(C)C)CC3.
What is the InChIKey of N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]prop-2-enamide?
The InChIKey is ZJHKGOUJZCQECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-4-17(20)18-11-5-7-15-13(9-11)14-10-12(19(2)3)6-8-16(14)21-15/h4-5,7,9,12H,1,6,8,10H2,2-3H3,(H,18,20).
What are the key properties of N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]prop-2-enamide?
N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]prop-2-enamide has a molecular weight of 284.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]prop-2-enamide is sourced from PubChem (CID 21221648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).