N-[2-(tert-butylamino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide

C18H24N2O3 — CID 34201561

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(=O)NCC(=O)NC(C)(C)C)c2cc1C
InChIInChI=1S/C18H24N2O3/c1-11-6-14-13(10-23-15(14)7-12(11)2)8-16(21)19-9-17(22)20-18(3,4)5/h6-7,10H,8-9H2,1-5H3,(H,19,21)(H,20,22)
InChIKeyVYIGTWAEYLNZFT-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.62
Rot. Bonds4

About N-[2-(tert-butylamino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 34201561) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID34201561
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(=O)NCC(=O)NC(C)(C)C)c2cc1C
InChIInChI=1S/C18H24N2O3/c1-11-6-14-13(10-23-15(14)7-12(11)2)8-16(21)19-9-17(22)20-18(3,4)5/h6-7,10H,8-9H2,1-5H3,(H,19,21)(H,20,22)
InChIKeyVYIGTWAEYLNZFT-UHFFFAOYSA-N
XLogP2.62
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 35518370
N-tert-butyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 9451645
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 119605884
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
CID 86950374
N-(3-aminopropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 119405292
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 46636527
N-tert-butyl-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 110488706
methyl 2-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]acetate
CID 18159169
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl]acetamide
CID 95782433
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylphenyl)acetamide
CID 7946686
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447799
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide
CID 111519796

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide (CID 34201561) is N-[2-(tert-butylamino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide is Cc1cc2occ(CC(=O)NCC(=O)NC(C)(C)C)c2cc1C.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is VYIGTWAEYLNZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-11-6-14-13(10-23-15(14)7-12(11)2)8-16(21)19-9-17(22)20-18(3,4)5/h6-7,10H,8-9H2,1-5H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 316.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 34201561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).