N-[3-(2-aminoethoxy)propyl]-1-benzofuran-3-carboxamide

C14H18N2O3 — CID 106307933

IUPACN-[3-(2-aminoethoxy)propyl]-1-benzofuran-3-carboxamide
SMILESNCCOCCCNC(=O)c1coc2ccccc12
InChIInChI=1S/C14H18N2O3/c15-6-9-18-8-3-7-16-14(17)12-10-19-13-5-2-1-4-11(12)13/h1-2,4-5,10H,3,6-9,15H2,(H,16,17)
InChIKeyMGHBYBWJUFLJQP-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.53
Rot. Bonds7

About N-[3-(2-aminoethoxy)propyl]-1-benzofuran-3-carboxamide

N-[3-(2-aminoethoxy)propyl]-1-benzofuran-3-carboxamide (PubChem CID 106307933) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]-1-benzofuran-3-carboxamide
PubChem CID106307933
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[3-(2-aminoethoxy)propyl]-1-benzofuran-3-carboxamide
SMILESNCCOCCCNC(=O)c1coc2ccccc12
InChIInChI=1S/C14H18N2O3/c15-6-9-18-8-3-7-16-14(17)12-10-19-13-5-2-1-4-11(12)13/h1-2,4-5,10H,3,6-9,15H2,(H,16,17)
InChIKeyMGHBYBWJUFLJQP-UHFFFAOYSA-N
XLogP1.53
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hex-5-ynyl-1-benzofuran-3-carboxamide
CID 103757829
N-(5-bromo-4-methylpentyl)-1-benzofuran-3-carboxamide
CID 106157815
N-[3-(2-aminoethoxy)propyl]quinoline-4-carboxamide
CID 106307902
N-(4-bromopentyl)-1-benzofuran-3-carboxamide
CID 106131215
N-[3-(2-aminoethoxy)propyl]-2,3-dihydroxybenzamide
CID 114171525
N-[3-(2-aminoethoxy)propyl]quinoline-5-carboxamide
CID 106307791
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide
CID 113313648
N-[3-(2-aminoethoxy)propyl]furan-3-carboxamide
CID 106307825
4-(1-benzofuran-3-carbonylamino)-2-methylbutanoic acid
CID 80538669
N-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide
CID 106307851
N-phenacyl-1-benzofuran-3-carboxamide
CID 64991447
N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide
CID 104872934

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)propyl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]-1-benzofuran-3-carboxamide (CID 106307933) is N-[3-(2-aminoethoxy)propyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]-1-benzofuran-3-carboxamide is NCCOCCCNC(=O)c1coc2ccccc12.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]-1-benzofuran-3-carboxamide?
The InChIKey is MGHBYBWJUFLJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-6-9-18-8-3-7-16-14(17)12-10-19-13-5-2-1-4-11(12)13/h1-2,4-5,10H,3,6-9,15H2,(H,16,17).
What are the key properties of N-[3-(2-aminoethoxy)propyl]-1-benzofuran-3-carboxamide?
N-[3-(2-aminoethoxy)propyl]-1-benzofuran-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)propyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 106307933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).