N-tert-butyl-2-(3-methyl-1-benzofuran-2-yl)acetamide

C15H19NO2 — CID 102134690

IUPACN-tert-butyl-2-(3-methyl-1-benzofuran-2-yl)acetamide
SMILESCc1c(CC(=O)NC(C)(C)C)oc2ccccc12
InChIInChI=1S/C15H19NO2/c1-10-11-7-5-6-8-12(11)18-13(10)9-14(17)16-15(2,3)4/h5-8H,9H2,1-4H3,(H,16,17)
InChIKeyPINMJXMYDIBCJH-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.20
Rot. Bonds2

About N-tert-butyl-2-(3-methyl-1-benzofuran-2-yl)acetamide

N-tert-butyl-2-(3-methyl-1-benzofuran-2-yl)acetamide (PubChem CID 102134690) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-tert-butyl-2-(3-methyl-1-benzofuran-2-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-methyl-1-benzofuran-2-yl)acetamide
PubChem CID102134690
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-tert-butyl-2-(3-methyl-1-benzofuran-2-yl)acetamide
SMILESCc1c(CC(=O)NC(C)(C)C)oc2ccccc12
InChIInChI=1S/C15H19NO2/c1-10-11-7-5-6-8-12(11)18-13(10)9-14(17)16-15(2,3)4/h5-8H,9H2,1-4H3,(H,16,17)
InChIKeyPINMJXMYDIBCJH-UHFFFAOYSA-N
XLogP3.20
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 83620719
N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70734151
2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide
CID 119789592
2-(3-methyl-1-benzofuran-2-yl)-1-piperazin-1-ylethanone
CID 82264272
N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide;hydrochloride
CID 143612119
2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride
CID 119789569
N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 91760252
1-(4-hydroxy-2-methylpentyl)-3-[(3-methyl-1-benzofuran-2-yl)methyl]urea
CID 111455542
2-(2-methoxyethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride
CID 119789587
(2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide
CID 119737273
N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 43777697
N-(1-cyano-1-cyclopropylethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 86789657

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-methyl-1-benzofuran-2-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(3-methyl-1-benzofuran-2-yl)acetamide (CID 102134690) is N-tert-butyl-2-(3-methyl-1-benzofuran-2-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(3-methyl-1-benzofuran-2-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(3-methyl-1-benzofuran-2-yl)acetamide is Cc1c(CC(=O)NC(C)(C)C)oc2ccccc12.
What is the InChIKey of N-tert-butyl-2-(3-methyl-1-benzofuran-2-yl)acetamide?
The InChIKey is PINMJXMYDIBCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-11-7-5-6-8-12(11)18-13(10)9-14(17)16-15(2,3)4/h5-8H,9H2,1-4H3,(H,16,17).
What are the key properties of N-tert-butyl-2-(3-methyl-1-benzofuran-2-yl)acetamide?
N-tert-butyl-2-(3-methyl-1-benzofuran-2-yl)acetamide has a molecular weight of 245.32 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-methyl-1-benzofuran-2-yl)acetamide is sourced from PubChem (CID 102134690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).