2-(1-benzofuran-2-yl)-2-(butylamino)acetamide

C14H18N2O2 — CID 25057245

IUPAC2-(1-benzofuran-2-yl)-2-(butylamino)acetamide
SMILESCCCCNC(C(N)=O)c1cc2ccccc2o1
InChIInChI=1S/C14H18N2O2/c1-2-3-8-16-13(14(15)17)12-9-10-6-4-5-7-11(10)18-12/h4-7,9,13,16H,2-3,8H2,1H3,(H2,15,17)
InChIKeyHDPBRCDXFSXXSI-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.35
Rot. Bonds6

About 2-(1-benzofuran-2-yl)-2-(butylamino)acetamide

2-(1-benzofuran-2-yl)-2-(butylamino)acetamide (PubChem CID 25057245) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-2-(butylamino)acetamide.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-2-(butylamino)acetamide
PubChem CID25057245
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(1-benzofuran-2-yl)-2-(butylamino)acetamide
SMILESCCCCNC(C(N)=O)c1cc2ccccc2o1
InChIInChI=1S/C14H18N2O2/c1-2-3-8-16-13(14(15)17)12-9-10-6-4-5-7-11(10)18-12/h4-7,9,13,16H,2-3,8H2,1H3,(H2,15,17)
InChIKeyHDPBRCDXFSXXSI-UHFFFAOYSA-N
XLogP2.35
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
CID 43080080
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
3-[1-(1-benzofuran-2-yl)ethylamino]propan-1-ol
CID 43182921
2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide
CID 94056544
1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894
1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine
CID 63418453
2-(1-benzofuran-2-ylmethylamino)propanamide
CID 43402391
N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854523
2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutanamide
CID 79809165
3-[1-(1-benzofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 115709140
(2S)-1-(1-benzofuran-2-yl)-2-(ethylamino)propan-1-one
CID 171632707
3-(butylamino)chromen-2-one
CID 154352647

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-2-(butylamino)acetamide?
The IUPAC name of 2-(1-benzofuran-2-yl)-2-(butylamino)acetamide (CID 25057245) is 2-(1-benzofuran-2-yl)-2-(butylamino)acetamide.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-2-(butylamino)acetamide?
The canonical SMILES for 2-(1-benzofuran-2-yl)-2-(butylamino)acetamide is CCCCNC(C(N)=O)c1cc2ccccc2o1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-2-(butylamino)acetamide?
The InChIKey is HDPBRCDXFSXXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-3-8-16-13(14(15)17)12-9-10-6-4-5-7-11(10)18-12/h4-7,9,13,16H,2-3,8H2,1H3,(H2,15,17).
What are the key properties of 2-(1-benzofuran-2-yl)-2-(butylamino)acetamide?
2-(1-benzofuran-2-yl)-2-(butylamino)acetamide has a molecular weight of 246.31 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-2-(butylamino)acetamide is sourced from PubChem (CID 25057245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).