N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide

C13H18N2O2 — CID 63732460

IUPACN-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESNCCCCNC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C13H18N2O2/c14-5-1-2-6-15-13(16)10-3-4-11-8-17-9-12(11)7-10/h3-4,7H,1-2,5-6,8-9,14H2,(H,15,16)
InChIKeyGVEWKCUDDUWYNW-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.19
Rot. Bonds5

About N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide

N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 63732460) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID63732460
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESNCCCCNC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C13H18N2O2/c14-5-1-2-6-15-13(16)10-3-4-11-8-17-9-12(11)7-10/h3-4,7H,1-2,5-6,8-9,14H2,(H,15,16)
InChIKeyGVEWKCUDDUWYNW-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.19
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-(4-bromobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 106846002
N-(2-chloroethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63744532
N-[2-(propan-2-ylamino)ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63743519
N-(3-aminopropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998692
N-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732267
N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 107231658
N-(3-hydroxypentyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 113259378
N-prop-2-enyl-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49192019
N-(6-aminohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 107843665
3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 63733095
N-[2-(aminomethyl)-2-ethylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 106249948
methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)acetate
CID 49192128

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide (CID 63732460) is N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide is NCCCCNC(=O)c1ccc2c(c1)COC2.
What is the InChIKey of N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is GVEWKCUDDUWYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-5-1-2-6-15-13(16)10-3-4-11-8-17-9-12(11)7-10/h3-4,7H,1-2,5-6,8-9,14H2,(H,15,16).
What are the key properties of N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 63732460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).