2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide

C14H22N2O2 — CID 61273578

IUPAC2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
SMILESCCC(C)NCC(=O)NC1CCCc2occc21
InChIInChI=1S/C14H22N2O2/c1-3-10(2)15-9-14(17)16-12-5-4-6-13-11(12)7-8-18-13/h7-8,10,12,15H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyJTTMMANXBCIDRY-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.16
Rot. Bonds5

About 2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide

2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide (PubChem CID 61273578) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
PubChem CID61273578
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
SMILESCCC(C)NCC(=O)NC1CCCc2occc21
InChIInChI=1S/C14H22N2O2/c1-3-10(2)15-9-14(17)16-12-5-4-6-13-11(12)7-8-18-13/h7-8,10,12,15H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyJTTMMANXBCIDRY-UHFFFAOYSA-N
XLogP2.16
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide (CID 61273578) is 2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide is CCC(C)NCC(=O)NC1CCCc2occc21.
What is the InChIKey of 2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
The InChIKey is JTTMMANXBCIDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-10(2)15-9-14(17)16-12-5-4-6-13-11(12)7-8-18-13/h7-8,10,12,15H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of 2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide has a molecular weight of 250.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide is sourced from PubChem (CID 61273578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).