N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide

C12H20N2O3 — CID 95236001

IUPACN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NC[C@@H](c1ccco1)N(C)C
InChIInChI=1S/C12H20N2O3/c1-4-16-9-12(15)13-8-10(14(2)3)11-6-5-7-17-11/h5-7,10H,4,8-9H2,1-3H3,(H,13,15)/t10-/m0/s1
InChIKeyWWFZECWLCILENU-JTQLQIEISA-N
MW240.30 g/mol
LogP1.03
Rot. Bonds7

About N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide

N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide (PubChem CID 95236001) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide
PubChem CID95236001
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NC[C@@H](c1ccco1)N(C)C
InChIInChI=1S/C12H20N2O3/c1-4-16-9-12(15)13-8-10(14(2)3)11-6-5-7-17-11/h5-7,10H,4,8-9H2,1-3H3,(H,13,15)/t10-/m0/s1
InChIKeyWWFZECWLCILENU-JTQLQIEISA-N
XLogP1.03
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 60662226
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethylphenoxy)acetamide
CID 26819096
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 19114396
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 26819035
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,5-dimethylphenoxy)acetamide
CID 26819079
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 52985245
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 19114412
(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide
CID 94775937
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 26819049
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid
CID 60933195
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 18588939

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide (CID 95236001) is N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide is CCOCC(=O)NC[C@@H](c1ccco1)N(C)C.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide?
The InChIKey is WWFZECWLCILENU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O3/c1-4-16-9-12(15)13-8-10(14(2)3)11-6-5-7-17-11/h5-7,10H,4,8-9H2,1-3H3,(H,13,15)/t10-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide?
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide has a molecular weight of 240.30 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide is sourced from PubChem (CID 95236001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).