N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(prop-2-enoylamino)benzamide

C20H20N2O3 — CID 166412050

IUPACN-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1cccc(C(=O)Nc2cccc3c2OC(C)(C)C3)c1
InChIInChI=1S/C20H20N2O3/c1-4-17(23)21-15-9-5-7-13(11-15)19(24)22-16-10-6-8-14-12-20(2,3)25-18(14)16/h4-11H,1,12H2,2-3H3,(H,21,23)(H,22,24)
InChIKeyPKGOBLILLMRBCY-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.78
Rot. Bonds4

About N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(prop-2-enoylamino)benzamide

N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(prop-2-enoylamino)benzamide (PubChem CID 166412050) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(prop-2-enoylamino)benzamide
PubChem CID166412050
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1cccc(C(=O)Nc2cccc3c2OC(C)(C)C3)c1
InChIInChI=1S/C20H20N2O3/c1-4-17(23)21-15-9-5-7-13(11-15)19(24)22-16-10-6-8-14-12-20(2,3)25-18(14)16/h4-11H,1,12H2,2-3H3,(H,21,23)(H,22,24)
InChIKeyPKGOBLILLMRBCY-UHFFFAOYSA-N
XLogP3.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodophenyl)-3-(prop-2-enoylamino)benzamide
CID 166287423
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylurea
CID 134105455
N-(4-acetamido-3-methylphenyl)-3-(prop-2-enoylamino)benzamide
CID 176973912
N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide
CID 141125198
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(prop-2-enoylamino)benzamide
CID 166412042
N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(hydroxymethyl)-1-benzofuran-2-carboxamide
CID 154868938
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-3-(prop-2-enoylamino)benzamide
CID 167886727
2-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropanamide
CID 134099930
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3-methoxyphenyl)benzamide
CID 26842036
N,N-diethyl-3-(prop-2-enoylamino)benzamide
CID 43616413
methyl 2-[3-(prop-2-enoylamino)benzoyl]-1,3-dihydroisoindole-4-carboxylate
CID 166420450
N-methyl-4-[2-[[3-(prop-2-enoylamino)benzoyl]amino]phenoxy]pyridine-2-carboxamide
CID 166412297

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(prop-2-enoylamino)benzamide?
The IUPAC name of N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(prop-2-enoylamino)benzamide (CID 166412050) is N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1cccc(C(=O)Nc2cccc3c2OC(C)(C)C3)c1.
What is the InChIKey of N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(prop-2-enoylamino)benzamide?
The InChIKey is PKGOBLILLMRBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-4-17(23)21-15-9-5-7-13(11-15)19(24)22-16-10-6-8-14-12-20(2,3)25-18(14)16/h4-11H,1,12H2,2-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(prop-2-enoylamino)benzamide?
N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(prop-2-enoylamino)benzamide has a molecular weight of 336.39 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 166412050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).