3-cyano-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide

C14H21N3O2 — CID 124883855

IUPAC3-cyano-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide
SMILESCN(C)[C@H](CNC(=O)CC(C)(C)C#N)c1ccco1
InChIInChI=1S/C14H21N3O2/c1-14(2,10-15)8-13(18)16-9-11(17(3)4)12-6-5-7-19-12/h5-7,11H,8-9H2,1-4H3,(H,16,18)/t11-/m1/s1
InChIKeyNSNFACSMNVTQCN-LLVKDONJSA-N
MW263.34 g/mol
LogP1.94
Rot. Bonds6

About 3-cyano-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide

3-cyano-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide (PubChem CID 124883855) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-cyano-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name3-cyano-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide
PubChem CID124883855
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-cyano-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide
SMILESCN(C)[C@H](CNC(=O)CC(C)(C)C#N)c1ccco1
InChIInChI=1S/C14H21N3O2/c1-14(2,10-15)8-13(18)16-9-11(17(3)4)12-6-5-7-19-12/h5-7,11H,8-9H2,1-4H3,(H,16,18)/t11-/m1/s1
InChIKeyNSNFACSMNVTQCN-LLVKDONJSA-N
XLogP1.94
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 52985245
6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid
CID 60933195
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide
CID 95236001
2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 60662226
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 18588939
tert-butyl N-[2-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]ethyl]carbamate
CID 95699804
1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 84515229
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-prop-2-enyloxamide
CID 16875563
2-(aminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4,4-dimethylpentanamide
CID 107471821
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110621185
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide?
The IUPAC name of 3-cyano-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide (CID 124883855) is 3-cyano-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide.
What is the SMILES notation for 3-cyano-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide?
The canonical SMILES for 3-cyano-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide is CN(C)[C@H](CNC(=O)CC(C)(C)C#N)c1ccco1.
What is the InChIKey of 3-cyano-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide?
The InChIKey is NSNFACSMNVTQCN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,10-15)8-13(18)16-9-11(17(3)4)12-6-5-7-19-12/h5-7,11H,8-9H2,1-4H3,(H,16,18)/t11-/m1/s1.
What are the key properties of 3-cyano-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide?
3-cyano-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide has a molecular weight of 263.34 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 124883855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).