N-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide

C15H19NO2 — CID 110732893

IUPACN-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)Cc1cc2ccccc2o1
InChIInChI=1S/C15H19NO2/c1-11(2)8-15(17)16(3)10-13-9-12-6-4-5-7-14(12)18-13/h4-7,9,11H,8,10H2,1-3H3
InChIKeySXIIOKCXNZLPCU-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.44
Rot. Bonds4

About N-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide

N-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide (PubChem CID 110732893) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide
PubChem CID110732893
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)Cc1cc2ccccc2o1
InChIInChI=1S/C15H19NO2/c1-11(2)8-15(17)16(3)10-13-9-12-6-4-5-7-14(12)18-13/h4-7,9,11H,8,10H2,1-3H3
InChIKeySXIIOKCXNZLPCU-UHFFFAOYSA-N
XLogP3.44
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide
CID 110732890
N-(1-benzofuran-2-ylmethyl)-N-methyl-2-(3-methylphenoxy)acetamide
CID 110732938
N-(1-benzofuran-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 110732927
N-(1-benzofuran-2-ylmethyl)-2-fluoro-N-methylbenzamide
CID 110732902
N-(1-benzofuran-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 110732936
N-(1-benzofuran-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 110745356
N-(1-benzofuran-2-ylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119807305
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
2-[1-benzofuran-2-ylmethyl(methyl)amino]acetic acid;hydrochloride
CID 119032828
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide
CID 60574738
3-[[1-benzofuran-2-ylmethyl(methyl)carbamoyl]amino]propanoic acid
CID 122018707
1-N-(1-benzofuran-2-ylmethyl)-1-N,4-dimethylpentane-1,3-diamine
CID 115317243

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide (CID 110732893) is N-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide is CC(C)CC(=O)N(C)Cc1cc2ccccc2o1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide?
The InChIKey is SXIIOKCXNZLPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11(2)8-15(17)16(3)10-13-9-12-6-4-5-7-14(12)18-13/h4-7,9,11H,8,10H2,1-3H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide?
N-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide has a molecular weight of 245.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 110732893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).