N-(1-amino-4,4-dimethylpentan-3-yl)-1-benzofuran-3-carboxamide

C16H22N2O2 — CID 106357075

IUPACN-(1-amino-4,4-dimethylpentan-3-yl)-1-benzofuran-3-carboxamide
SMILESCC(C)(C)C(CCN)NC(=O)c1coc2ccccc12
InChIInChI=1S/C16H22N2O2/c1-16(2,3)14(8-9-17)18-15(19)12-10-20-13-7-5-4-6-11(12)13/h4-7,10,14H,8-9,17H2,1-3H3,(H,18,19)
InChIKeyMNAJVIQEKMWCRA-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.93
Rot. Bonds4

About N-(1-amino-4,4-dimethylpentan-3-yl)-1-benzofuran-3-carboxamide

N-(1-amino-4,4-dimethylpentan-3-yl)-1-benzofuran-3-carboxamide (PubChem CID 106357075) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(1-amino-4,4-dimethylpentan-3-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4,4-dimethylpentan-3-yl)-1-benzofuran-3-carboxamide
PubChem CID106357075
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(1-amino-4,4-dimethylpentan-3-yl)-1-benzofuran-3-carboxamide
SMILESCC(C)(C)C(CCN)NC(=O)c1coc2ccccc12
InChIInChI=1S/C16H22N2O2/c1-16(2,3)14(8-9-17)18-15(19)12-10-20-13-7-5-4-6-11(12)13/h4-7,10,14H,8-9,17H2,1-3H3,(H,18,19)
InChIKeyMNAJVIQEKMWCRA-UHFFFAOYSA-N
XLogP2.93
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4,4-dimethylpentan-3-yl)naphthalene-1-carboxamide
CID 106357235
N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide
CID 104872934
N-(1-aminopentan-2-yl)-1-benzofuran-3-carboxamide
CID 65191381
N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-3-methylbenzamide
CID 106357259
N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
CID 79031060
(4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid
CID 95359138
N-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide
CID 115884333
N-(4-amino-4-hydroxyiminobutan-2-yl)-1-benzofuran-3-carboxamide
CID 77020851
N-[4-(3,4-difluorophenyl)butan-2-yl]-1-benzofuran-3-carboxamide
CID 86946401
N-(1-amino-4,4-dimethylpentan-3-yl)-2,6-dimethylbenzamide
CID 106357063
N-(4-chloro-1-methoxybutan-2-yl)-1-benzofuran-3-carboxamide
CID 106155716
2-amino-1-(1-benzofuran-3-yl)-2-methylpropan-1-one
CID 116915418

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-1-benzofuran-3-carboxamide?
The IUPAC name of N-(1-amino-4,4-dimethylpentan-3-yl)-1-benzofuran-3-carboxamide (CID 106357075) is N-(1-amino-4,4-dimethylpentan-3-yl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(1-amino-4,4-dimethylpentan-3-yl)-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(1-amino-4,4-dimethylpentan-3-yl)-1-benzofuran-3-carboxamide is CC(C)(C)C(CCN)NC(=O)c1coc2ccccc12.
What is the InChIKey of N-(1-amino-4,4-dimethylpentan-3-yl)-1-benzofuran-3-carboxamide?
The InChIKey is MNAJVIQEKMWCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2,3)14(8-9-17)18-15(19)12-10-20-13-7-5-4-6-11(12)13/h4-7,10,14H,8-9,17H2,1-3H3,(H,18,19).
What are the key properties of N-(1-amino-4,4-dimethylpentan-3-yl)-1-benzofuran-3-carboxamide?
N-(1-amino-4,4-dimethylpentan-3-yl)-1-benzofuran-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4,4-dimethylpentan-3-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 106357075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).