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

C13H22N2O2 — CID 94606457

IUPAC(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)NC[C@@H](c1ccco1)N(C)C
InChIInChI=1S/C13H22N2O2/c1-5-10(2)13(16)14-9-11(15(3)4)12-7-6-8-17-12/h6-8,10-11H,5,9H2,1-4H3,(H,14,16)/t10-,11+/m1/s1
InChIKeyUESRQGCIGBGURF-MNOVXSKESA-N
MW238.33 g/mol
LogP2.04
Rot. Bonds6

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

(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide (PubChem CID 94606457) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
PubChem CID94606457
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)NC[C@@H](c1ccco1)N(C)C
InChIInChI=1S/C13H22N2O2/c1-5-10(2)13(16)14-9-11(15(3)4)12-7-6-8-17-12/h6-8,10-11H,5,9H2,1-4H3,(H,14,16)/t10-,11+/m1/s1
InChIKeyUESRQGCIGBGURF-MNOVXSKESA-N
XLogP2.04
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide
CID 94775937
6-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylheptanamide
CID 65292308
2-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110621193
1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 47216311
2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methylpentanamide
CID 61248108
N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 51145103
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 52985245
3-amino-4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutanoic acid
CID 64895752
2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]butanediamide
CID 61247741
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide
CID 95236001
2-(aminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4,4-dimethylpentanamide
CID 107471821
(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenoxy)propanamide
CID 41091288

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide?
The IUPAC name of (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide (CID 94606457) is (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide.
What is the SMILES notation for (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide?
The canonical SMILES for (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide is CC[C@@H](C)C(=O)NC[C@@H](c1ccco1)N(C)C.
What is the InChIKey of (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide?
The InChIKey is UESRQGCIGBGURF-MNOVXSKESA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-10(2)13(16)14-9-11(15(3)4)12-7-6-8-17-12/h6-8,10-11H,5,9H2,1-4H3,(H,14,16)/t10-,11+/m1/s1.
What are the key properties of (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide?
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide has a molecular weight of 238.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide is sourced from PubChem (CID 94606457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).