N-(1-aminopentan-2-yl)-1-benzofuran-3-carboxamide

C14H18N2O2 — CID 65191381

IUPACN-(1-aminopentan-2-yl)-1-benzofuran-3-carboxamide
SMILESCCCC(CN)NC(=O)c1coc2ccccc12
InChIInChI=1S/C14H18N2O2/c1-2-5-10(8-15)16-14(17)12-9-18-13-7-4-3-6-11(12)13/h3-4,6-7,9-10H,2,5,8,15H2,1H3,(H,16,17)
InChIKeyDHRMIKBGHWVFLV-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.29
Rot. Bonds5

About N-(1-aminopentan-2-yl)-1-benzofuran-3-carboxamide

N-(1-aminopentan-2-yl)-1-benzofuran-3-carboxamide (PubChem CID 65191381) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-1-benzofuran-3-carboxamide
PubChem CID65191381
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(1-aminopentan-2-yl)-1-benzofuran-3-carboxamide
SMILESCCCC(CN)NC(=O)c1coc2ccccc12
InChIInChI=1S/C14H18N2O2/c1-2-5-10(8-15)16-14(17)12-9-18-13-7-4-3-6-11(12)13/h3-4,6-7,9-10H,2,5,8,15H2,1H3,(H,16,17)
InChIKeyDHRMIKBGHWVFLV-UHFFFAOYSA-N
XLogP2.29
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide
CID 104872934
N-(1-aminopentan-2-yl)naphthalene-1-carboxamide
CID 65191426
N-(1-amino-4,4-dimethylpentan-3-yl)-1-benzofuran-3-carboxamide
CID 106357075
N-(2-chloropentyl)-1-benzofuran-3-carboxamide
CID 113496475
N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
CID 79031060
N-(4-chloro-1-methoxybutan-2-yl)-1-benzofuran-3-carboxamide
CID 106155716
(4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid
CID 95359138
N-(4-amino-4-hydroxyiminobutan-2-yl)-1-benzofuran-3-carboxamide
CID 77020851
4-amino-1-(1-benzofuran-3-yl)-3-methylbutan-1-one
CID 116916164
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide
CID 113313648
N-(1-aminopentan-2-yl)-3-chloro-2-methylbenzamide
CID 107098204
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-benzofuran-3-carboxamide
CID 103801373

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-1-benzofuran-3-carboxamide?
The IUPAC name of N-(1-aminopentan-2-yl)-1-benzofuran-3-carboxamide (CID 65191381) is N-(1-aminopentan-2-yl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-1-benzofuran-3-carboxamide is CCCC(CN)NC(=O)c1coc2ccccc12.
What is the InChIKey of N-(1-aminopentan-2-yl)-1-benzofuran-3-carboxamide?
The InChIKey is DHRMIKBGHWVFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-5-10(8-15)16-14(17)12-9-18-13-7-4-3-6-11(12)13/h3-4,6-7,9-10H,2,5,8,15H2,1H3,(H,16,17).
What are the key properties of N-(1-aminopentan-2-yl)-1-benzofuran-3-carboxamide?
N-(1-aminopentan-2-yl)-1-benzofuran-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 65191381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).