2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylacetamide

C10H16N2O2 — CID 81399983

IUPAC2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylacetamide
SMILESC[C@H](NCC(=O)N(C)C)c1ccco1
InChIInChI=1S/C10H16N2O2/c1-8(9-5-4-6-14-9)11-7-10(13)12(2)3/h4-6,8,11H,7H2,1-3H3/t8-/m0/s1
InChIKeyUAMBMOSBLGQYRO-QMMMGPOBSA-N
MW196.25 g/mol
LogP1.02
Rot. Bonds4

About 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylacetamide

2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylacetamide (PubChem CID 81399983) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylacetamide
PubChem CID81399983
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylacetamide
SMILESC[C@H](NCC(=O)N(C)C)c1ccco1
InChIInChI=1S/C10H16N2O2/c1-8(9-5-4-6-14-9)11-7-10(13)12(2)3/h4-6,8,11H,7H2,1-3H3/t8-/m0/s1
InChIKeyUAMBMOSBLGQYRO-QMMMGPOBSA-N
XLogP1.02
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylacetamide (CID 81399983) is 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylacetamide is C[C@H](NCC(=O)N(C)C)c1ccco1.
What is the InChIKey of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylacetamide?
The InChIKey is UAMBMOSBLGQYRO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8(9-5-4-6-14-9)11-7-10(13)12(2)3/h4-6,8,11H,7H2,1-3H3/t8-/m0/s1.
What are the key properties of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylacetamide?
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylacetamide has a molecular weight of 196.25 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 81399983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).