N-[2-(aminomethyl)-2-ethylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide

C16H24N2O2 — CID 106249948

IUPACN-[2-(aminomethyl)-2-ethylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCCC(CC)(CN)CNC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C16H24N2O2/c1-3-16(4-2,10-17)11-18-15(19)12-5-6-13-8-20-9-14(13)7-12/h5-7H,3-4,8-11,17H2,1-2H3,(H,18,19)
InChIKeyDNIKPFWUPSAMNA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.21
Rot. Bonds6

About N-[2-(aminomethyl)-2-ethylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide

N-[2-(aminomethyl)-2-ethylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 106249948) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-ethylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-ethylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID106249948
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-(aminomethyl)-2-ethylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCCC(CC)(CN)CNC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C16H24N2O2/c1-3-16(4-2,10-17)11-18-15(19)12-5-6-13-8-20-9-14(13)7-12/h5-7H,3-4,8-11,17H2,1-2H3,(H,18,19)
InChIKeyDNIKPFWUPSAMNA-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 103843199
N-(2-amino-2-ethylbutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 81484647
methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)acetate
CID 49192128
N-[2-(aminomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide
CID 106250501
N-[2-(aminomethyl)-2-ethylbutyl]-3,4-dimethoxybenzamide
CID 106250783
N-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732267
N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732460
3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 63733095
N-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63755903
N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxybenzamide
CID 106250544
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide (CID 106249948) is N-[2-(aminomethyl)-2-ethylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)-2-ethylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)-2-ethylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide is CCC(CC)(CN)CNC(=O)c1ccc2c(c1)COC2.
What is the InChIKey of N-[2-(aminomethyl)-2-ethylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is DNIKPFWUPSAMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-16(4-2,10-17)11-18-15(19)12-5-6-13-8-20-9-14(13)7-12/h5-7H,3-4,8-11,17H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(aminomethyl)-2-ethylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
N-[2-(aminomethyl)-2-ethylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-2-ethylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 106249948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).