N-[(2R)-4-cyclopropyl-3-oxobutan-2-yl]-2,2-dimethylpropanamide

C12H21NO2 — CID 158191318

IUPACN-[(2R)-4-cyclopropyl-3-oxobutan-2-yl]-2,2-dimethylpropanamide
SMILESC[C@@H](NC(=O)C(C)(C)C)C(=O)CC1CC1
InChIInChI=1S/C12H21NO2/c1-8(10(14)7-9-5-6-9)13-11(15)12(2,3)4/h8-9H,5-7H2,1-4H3,(H,13,15)/t8-/m1/s1
InChIKeyFZUCXPVLLJWZFC-MRVPVSSYSA-N
MW211.30 g/mol
LogP1.91
Rot. Bonds4

About N-[(2R)-4-cyclopropyl-3-oxobutan-2-yl]-2,2-dimethylpropanamide

N-[(2R)-4-cyclopropyl-3-oxobutan-2-yl]-2,2-dimethylpropanamide (PubChem CID 158191318) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-[(2R)-4-cyclopropyl-3-oxobutan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2R)-4-cyclopropyl-3-oxobutan-2-yl]-2,2-dimethylpropanamide
PubChem CID158191318
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-[(2R)-4-cyclopropyl-3-oxobutan-2-yl]-2,2-dimethylpropanamide
SMILESC[C@@H](NC(=O)C(C)(C)C)C(=O)CC1CC1
InChIInChI=1S/C12H21NO2/c1-8(10(14)7-9-5-6-9)13-11(15)12(2,3)4/h8-9H,5-7H2,1-4H3,(H,13,15)/t8-/m1/s1
InChIKeyFZUCXPVLLJWZFC-MRVPVSSYSA-N
XLogP1.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[(2S)-4-[(3S)-5-methylidenepyrrolidin-3-yl]-3-oxobutan-2-yl]propanamide
CID 147232154
2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide
CID 126726603
N-[1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54878882
(3R)-3-amino-1-cyclopropylbutan-2-one
CID 96732436
N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 119575220
methyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate
CID 7024878
N-(1-amino-1-sulfanylidenepropan-2-yl)-2,2-dimethylpropanamide
CID 61119877
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 60730592
N-[1-[cyclobutyl(3-hydroxypropyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 102866389
2-(4-aminocyclohexyl)-N-(3,3-dimethylbutan-2-yl)acetamide
CID 104830066
1-cyclopropyl-4,4-dimethylpentan-2-one
CID 58286843
N-(1-cyclopropylpropan-2-yl)-2-hydroxy-2-methylpropanamide
CID 103430059

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-cyclopropyl-3-oxobutan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2R)-4-cyclopropyl-3-oxobutan-2-yl]-2,2-dimethylpropanamide (CID 158191318) is N-[(2R)-4-cyclopropyl-3-oxobutan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2R)-4-cyclopropyl-3-oxobutan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2R)-4-cyclopropyl-3-oxobutan-2-yl]-2,2-dimethylpropanamide is C[C@@H](NC(=O)C(C)(C)C)C(=O)CC1CC1.
What is the InChIKey of N-[(2R)-4-cyclopropyl-3-oxobutan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is FZUCXPVLLJWZFC-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-8(10(14)7-9-5-6-9)13-11(15)12(2,3)4/h8-9H,5-7H2,1-4H3,(H,13,15)/t8-/m1/s1.
What are the key properties of N-[(2R)-4-cyclopropyl-3-oxobutan-2-yl]-2,2-dimethylpropanamide?
N-[(2R)-4-cyclopropyl-3-oxobutan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 211.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-cyclopropyl-3-oxobutan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 158191318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).