2-ethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]butanamide

C15H28N2O2 — CID 110348621

IUPAC2-ethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]butanamide
SMILESCCC(CC)C(=O)N[C@H](C(=O)N1CCCC1)C(C)C
InChIInChI=1S/C15H28N2O2/c1-5-12(6-2)14(18)16-13(11(3)4)15(19)17-9-7-8-10-17/h11-13H,5-10H2,1-4H3,(H,16,18)/t13-/m0/s1
InChIKeyQRTCVKSWRVHQBW-ZDUSSCGKSA-N
MW268.40 g/mol
LogP2.19
Rot. Bonds6

About 2-ethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]butanamide

2-ethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]butanamide (PubChem CID 110348621) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-ethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]butanamide
PubChem CID110348621
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-ethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]butanamide
SMILESCCC(CC)C(=O)N[C@H](C(=O)N1CCCC1)C(C)C
InChIInChI=1S/C15H28N2O2/c1-5-12(6-2)14(18)16-13(11(3)4)15(19)17-9-7-8-10-17/h11-13H,5-10H2,1-4H3,(H,16,18)/t13-/m0/s1
InChIKeyQRTCVKSWRVHQBW-ZDUSSCGKSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]butanamide
CID 95747727
3-[[1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]carbamoyl]-6-methylheptanoic acid
CID 142065965
N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]butanamide
CID 110349052
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxobutan-2-yl]-2-ethylbutanamide
CID 110349007
methyl N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate
CID 58449518
(2S)-2-[[(2S)-2-[acetyl(methyl)amino]propanoyl]amino]-3-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]butanamide
CID 140733709
2-[[(2S)-2-[acetyl(methyl)amino]propanoyl]amino]-3-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]butanamide
CID 162277558
2,2-dimethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 110348620
(3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea
CID 60634981
2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 110280633
(3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea
CID 60634937
(2E)-2-hydroxyimino-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]propanamide
CID 15138122

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]butanamide?
The IUPAC name of 2-ethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]butanamide (CID 110348621) is 2-ethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]butanamide.
What is the SMILES notation for 2-ethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]butanamide?
The canonical SMILES for 2-ethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]butanamide is CCC(CC)C(=O)N[C@H](C(=O)N1CCCC1)C(C)C.
What is the InChIKey of 2-ethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]butanamide?
The InChIKey is QRTCVKSWRVHQBW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-12(6-2)14(18)16-13(11(3)4)15(19)17-9-7-8-10-17/h11-13H,5-10H2,1-4H3,(H,16,18)/t13-/m0/s1.
What are the key properties of 2-ethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]butanamide?
2-ethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]butanamide has a molecular weight of 268.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]butanamide is sourced from PubChem (CID 110348621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).