3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-N,2,2-trimethylpropanamide

C15H22N2O2 — CID 106277307

IUPAC3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCC1COc2ccccc21
InChIInChI=1S/C15H22N2O2/c1-15(2,14(18)16-3)10-17-8-11-9-19-13-7-5-4-6-12(11)13/h4-7,11,17H,8-10H2,1-3H3,(H,16,18)
InChIKeySNSVPVSFDGHKDB-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.52
Rot. Bonds5

About 3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-N,2,2-trimethylpropanamide

3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-N,2,2-trimethylpropanamide (PubChem CID 106277307) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-N,2,2-trimethylpropanamide
PubChem CID106277307
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCC1COc2ccccc21
InChIInChI=1S/C15H22N2O2/c1-15(2,14(18)16-3)10-17-8-11-9-19-13-7-5-4-6-12(11)13/h4-7,11,17H,8-10H2,1-3H3,(H,16,18)
InChIKeySNSVPVSFDGHKDB-UHFFFAOYSA-N
XLogP1.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-2-methylpropane-1,2-diol
CID 79226361
5-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 106147124
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
3-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-N,2,2-trimethylpropanamide
CID 106276945
4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide
CID 79225953
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 79226040
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid
CID 83194430
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405504
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
CID 110751798
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
CID 79226749
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine
CID 79227067
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanamine
CID 79218793

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-N,2,2-trimethylpropanamide (CID 106277307) is 3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNCC1COc2ccccc21.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-N,2,2-trimethylpropanamide?
The InChIKey is SNSVPVSFDGHKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,14(18)16-3)10-17-8-11-9-19-13-7-5-4-6-12(11)13/h4-7,11,17H,8-10H2,1-3H3,(H,16,18).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-N,2,2-trimethylpropanamide?
3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-N,2,2-trimethylpropanamide has a molecular weight of 262.35 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106277307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).