N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide

C15H19NO3 — CID 115588204

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide
SMILESCOC(C)C(=O)N(C)C(C)c1cc2ccccc2o1
InChIInChI=1S/C15H19NO3/c1-10(16(3)15(17)11(2)18-4)14-9-12-7-5-6-8-13(12)19-14/h5-11H,1-4H3
InChIKeyMZWVFODTVGDVGG-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.99
Rot. Bonds4

About N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide

N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide (PubChem CID 115588204) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide
PubChem CID115588204
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide
SMILESCOC(C)C(=O)N(C)C(C)c1cc2ccccc2o1
InChIInChI=1S/C15H19NO3/c1-10(16(3)15(17)11(2)18-4)14-9-12-7-5-6-8-13(12)19-14/h5-11H,1-4H3
InChIKeyMZWVFODTVGDVGG-UHFFFAOYSA-N
XLogP2.99
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide
CID 61164290
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 46551191
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-methylurea
CID 134040576
N-[1-[1-(1-benzofuran-2-yl)ethyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 46421801
N-[1-(1-benzofuran-2-yl)ethyl]-N,4-dimethylbenzamide
CID 46551169
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide
CID 46551068
N-[1-(1-benzofuran-2-yl)ethyl]-N,5-dimethylfuran-2-carboxamide
CID 46551065
N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide
CID 87015123
1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(2-methoxyethoxy)phenyl]-1-methylurea
CID 47493616
N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide
CID 55204447
N-[1-(1-benzofuran-2-yl)ethyl]-3-chloro-N,2,2-trimethylpropanamide
CID 63681322

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide (CID 115588204) is N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide is COC(C)C(=O)N(C)C(C)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide?
The InChIKey is MZWVFODTVGDVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(16(3)15(17)11(2)18-4)14-9-12-7-5-6-8-13(12)19-14/h5-11H,1-4H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide has a molecular weight of 261.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide is sourced from PubChem (CID 115588204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).