N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide

C14H18N2O2 — CID 63731357

IUPACN-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide
SMILESCCC(N)CNC(=O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C14H18N2O2/c1-3-11(15)8-16-14(17)13-7-10-6-9(2)4-5-12(10)18-13/h4-7,11H,3,8,15H2,1-2H3,(H,16,17)
InChIKeyNNLGGMDBIKAKCQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.21
Rot. Bonds4

About N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide

N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 63731357) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide
PubChem CID63731357
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide
SMILESCCC(N)CNC(=O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C14H18N2O2/c1-3-11(15)8-16-14(17)13-7-10-6-9(2)4-5-12(10)18-13/h4-7,11H,3,8,15H2,1-2H3,(H,16,17)
InChIKeyNNLGGMDBIKAKCQ-UHFFFAOYSA-N
XLogP2.21
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
2-[[(5-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid
CID 65219540
N-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide
CID 103771495
N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-benzofuran-2-carboxamide
CID 111662426
N-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 65314853
N-(3-chlorobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 113272749
N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 115598745
5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide
CID 115409727
N-(1-amino-1-sulfanylidenepropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 55012612
N-(4-amino-4-sulfanylidenebutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 55101977
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-5-methyl-1-benzofuran-2-carboxamide
CID 49089493
5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 107211116

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide (CID 63731357) is N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide is CCC(N)CNC(=O)c1cc2cc(C)ccc2o1.
What is the InChIKey of N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide?
The InChIKey is NNLGGMDBIKAKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-11(15)8-16-14(17)13-7-10-6-9(2)4-5-12(10)18-13/h4-7,11H,3,8,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide?
N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 63731357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).