N-[3-(4-cyclopropyltriazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C17H20N4O2 — CID 146153267

IUPACN-[3-(4-cyclopropyltriazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NCCCn1cc(C2CC2)nn1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H20N4O2/c22-17(14-4-5-16-13(10-14)6-9-23-16)18-7-1-8-21-11-15(19-20-21)12-2-3-12/h4-5,10-12H,1-3,6-9H2,(H,18,22)
InChIKeyHMEMHNRPKFCDES-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.91
Rot. Bonds6

About N-[3-(4-cyclopropyltriazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[3-(4-cyclopropyltriazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 146153267) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[3-(4-cyclopropyltriazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-cyclopropyltriazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID146153267
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[3-(4-cyclopropyltriazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NCCCn1cc(C2CC2)nn1)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H20N4O2/c22-17(14-4-5-16-13(10-14)6-9-23-16)18-7-1-8-21-11-15(19-20-21)12-2-3-12/h4-5,10-12H,1-3,6-9H2,(H,18,22)
InChIKeyHMEMHNRPKFCDES-UHFFFAOYSA-N
XLogP1.91
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyclopropylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62201269
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 115319761
N-(6-iodohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 107848625
N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46493024
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
N-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114296800
N-[(4-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 106124041
4-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-methylbutanoic acid
CID 80539298
N-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 111426308
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113275372
N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62955860
N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 95215750

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclopropyltriazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[3-(4-cyclopropyltriazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 146153267) is N-[3-(4-cyclopropyltriazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[3-(4-cyclopropyltriazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[3-(4-cyclopropyltriazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(NCCCn1cc(C2CC2)nn1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[3-(4-cyclopropyltriazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is HMEMHNRPKFCDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-17(14-4-5-16-13(10-14)6-9-23-16)18-7-1-8-21-11-15(19-20-21)12-2-3-12/h4-5,10-12H,1-3,6-9H2,(H,18,22).
What are the key properties of N-[3-(4-cyclopropyltriazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[3-(4-cyclopropyltriazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclopropyltriazol-1-yl)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 146153267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).