N-tert-butyl-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]acetamide

C16H24N2O2 — CID 106701339

IUPACN-tert-butyl-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNC1c2ccccc2OC1(C)C
InChIInChI=1S/C16H24N2O2/c1-15(2,3)18-13(19)10-17-14-11-8-6-7-9-12(11)20-16(14,4)5/h6-9,14,17H,10H2,1-5H3,(H,18,19)
InChIKeyPQOCBMQVXDWUQA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.40
Rot. Bonds3

About N-tert-butyl-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]acetamide

N-tert-butyl-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]acetamide (PubChem CID 106701339) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-tert-butyl-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]acetamide
PubChem CID106701339
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-tert-butyl-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNC1c2ccccc2OC1(C)C
InChIInChI=1S/C16H24N2O2/c1-15(2,3)18-13(19)10-17-14-11-8-6-7-9-12(11)20-16(14,4)5/h6-9,14,17H,10H2,1-5H3,(H,18,19)
InChIKeyPQOCBMQVXDWUQA-UHFFFAOYSA-N
XLogP2.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide
CID 106700860
N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701421
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701414
6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol
CID 107849705
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-ethylethanesulfonamide
CID 106334729
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]propan-1-ol
CID 106700871
2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-3H-1-benzofuran-3-amine
CID 106290183
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-4-methylpentanoic acid
CID 106701074
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N,N-dimethylethanesulfonamide
CID 106336127
2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine
CID 106701422
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106701120
methyl (2S)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-3-methylbutanoate
CID 106700921

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]acetamide (CID 106701339) is N-tert-butyl-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]acetamide is CC(C)(C)NC(=O)CNC1c2ccccc2OC1(C)C.
What is the InChIKey of N-tert-butyl-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]acetamide?
The InChIKey is PQOCBMQVXDWUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-15(2,3)18-13(19)10-17-14-11-8-6-7-9-12(11)20-16(14,4)5/h6-9,14,17H,10H2,1-5H3,(H,18,19).
What are the key properties of N-tert-butyl-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]acetamide?
N-tert-butyl-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]acetamide is sourced from PubChem (CID 106701339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).