(2S)-2-amino-N-ethyl-N-(furan-3-ylmethyl)-3-methylbutanamide

C12H20N2O2 — CID 86784234

IUPAC(2S)-2-amino-N-ethyl-N-(furan-3-ylmethyl)-3-methylbutanamide
SMILESCCN(Cc1ccoc1)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C12H20N2O2/c1-4-14(7-10-5-6-16-8-10)12(15)11(13)9(2)3/h5-6,8-9,11H,4,7,13H2,1-3H3/t11-/m0/s1
InChIKeySKXPHYVABXACKX-NSHDSACASA-N
MW224.30 g/mol
LogP1.61
Rot. Bonds5

About (2S)-2-amino-N-ethyl-N-(furan-3-ylmethyl)-3-methylbutanamide

(2S)-2-amino-N-ethyl-N-(furan-3-ylmethyl)-3-methylbutanamide (PubChem CID 86784234) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-N-(furan-3-ylmethyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-N-(furan-3-ylmethyl)-3-methylbutanamide
PubChem CID86784234
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(2S)-2-amino-N-ethyl-N-(furan-3-ylmethyl)-3-methylbutanamide
SMILESCCN(Cc1ccoc1)C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C12H20N2O2/c1-4-14(7-10-5-6-16-8-10)12(15)11(13)9(2)3/h5-6,8-9,11H,4,7,13H2,1-3H3/t11-/m0/s1
InChIKeySKXPHYVABXACKX-NSHDSACASA-N
XLogP1.61
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-N-(furan-3-ylmethyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-N-(furan-3-ylmethyl)-3-methylbutanamide (CID 86784234) is (2S)-2-amino-N-ethyl-N-(furan-3-ylmethyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-N-(furan-3-ylmethyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-N-(furan-3-ylmethyl)-3-methylbutanamide is CCN(Cc1ccoc1)C(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-ethyl-N-(furan-3-ylmethyl)-3-methylbutanamide?
The InChIKey is SKXPHYVABXACKX-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-14(7-10-5-6-16-8-10)12(15)11(13)9(2)3/h5-6,8-9,11H,4,7,13H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-N-(furan-3-ylmethyl)-3-methylbutanamide?
(2S)-2-amino-N-ethyl-N-(furan-3-ylmethyl)-3-methylbutanamide has a molecular weight of 224.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-N-(furan-3-ylmethyl)-3-methylbutanamide is sourced from PubChem (CID 86784234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).