N-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide

C14H17NO2 — CID 110732890

IUPACN-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)Cc1cc2ccccc2o1
InChIInChI=1S/C14H17NO2/c1-10(2)14(16)15(3)9-12-8-11-6-4-5-7-13(11)17-12/h4-8,10H,9H2,1-3H3
InChIKeySOVUEXNXACDRAO-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.05
Rot. Bonds3

About N-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide

N-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide (PubChem CID 110732890) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide
PubChem CID110732890
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC NameN-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)Cc1cc2ccccc2o1
InChIInChI=1S/C14H17NO2/c1-10(2)14(16)15(3)9-12-8-11-6-4-5-7-13(11)17-12/h4-8,10H,9H2,1-3H3
InChIKeySOVUEXNXACDRAO-UHFFFAOYSA-N
XLogP3.05
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide
CID 110732893
N-(1-benzofuran-2-ylmethyl)-2-fluoro-N-methylbenzamide
CID 110732902
N-(1-benzofuran-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 110745356
2-[1-benzofuran-2-ylmethyl(methyl)amino]acetic acid;hydrochloride
CID 119032828
3-[[1-benzofuran-2-ylmethyl(methyl)carbamoyl]amino]propanoic acid
CID 122018707
N-(1-benzofuran-2-ylmethyl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 110732936
N-(1-benzofuran-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 110732927
N-(1-benzofuran-2-ylmethyl)-N-methyl-2-(3-methylphenoxy)acetamide
CID 110732938
1-N-(1-benzofuran-2-ylmethyl)-1-N,4-dimethylpentane-1,3-diamine
CID 115317243
2-[1-benzofuran-2-ylmethyl(ethyl)amino]acetic acid
CID 65063124
N-(1-benzofuran-2-ylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119807305
[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7193796

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide (CID 110732890) is N-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide is CC(C)C(=O)N(C)Cc1cc2ccccc2o1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide?
The InChIKey is SOVUEXNXACDRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(2)14(16)15(3)9-12-8-11-6-4-5-7-13(11)17-12/h4-8,10H,9H2,1-3H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide?
N-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide has a molecular weight of 231.30 g/mol, XLogP of 3.05, 3 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,2-dimethylpropanamide is sourced from PubChem (CID 110732890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).