4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide

C12H18N2O2 — CID 115466341

IUPAC4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide
SMILESNC(=O)CCCNC1CCCc2occc21
InChIInChI=1S/C12H18N2O2/c13-12(15)5-2-7-14-10-3-1-4-11-9(10)6-8-16-11/h6,8,10,14H,1-5,7H2,(H2,13,15)
InChIKeyXAQHOAZFHVFERB-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.51
Rot. Bonds5

About 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide

4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide (PubChem CID 115466341) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide.

Molecular Properties

Compound Name4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide
PubChem CID115466341
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide
SMILESNC(=O)CCCNC1CCCc2occc21
InChIInChI=1S/C12H18N2O2/c13-12(15)5-2-7-14-10-3-1-4-11-9(10)6-8-16-11/h6,8,10,14H,1-5,7H2,(H2,13,15)
InChIKeyXAQHOAZFHVFERB-UHFFFAOYSA-N
XLogP1.51
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.51
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

3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanoic acid
CID 115466058
N-(5-methylsulfanylpentyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 107094031
N-(3-piperidin-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115465990
N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208271
N-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]methanesulfonamide
CID 113315133
4-[2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]phenol
CID 115466423
N-propyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide
CID 115466077
3-[2-[[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]amino]phenyl]sulfanylpropanamide
CID 124625805
N-(2-butoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113315171
4-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 104964092
N,2,2-trimethyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propanamide
CID 103096687
N-(2,2-difluoroethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466646

Frequently Asked Questions

What is the IUPAC name of 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide?
The IUPAC name of 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide (CID 115466341) is 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide.
What is the SMILES notation for 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide?
The canonical SMILES for 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide is NC(=O)CCCNC1CCCc2occc21.
What is the InChIKey of 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide?
The InChIKey is XAQHOAZFHVFERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-12(15)5-2-7-14-10-3-1-4-11-9(10)6-8-16-11/h6,8,10,14H,1-5,7H2,(H2,13,15).
What are the key properties of 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide?
4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide has a molecular weight of 222.29 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butanamide is sourced from PubChem (CID 115466341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).