(2S)-3-methyl-N-[(1R,3R)-3-methylcyclohexyl]-2-(2-oxopyrrolidin-1-yl)butanamide

C16H28N2O2 — CID 98730591

IUPAC(2S)-3-methyl-N-[(1R,3R)-3-methylcyclohexyl]-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC(C)[C@@H](C(=O)N[C@@H]1CCC[C@@H](C)C1)N1CCCC1=O
InChIInChI=1S/C16H28N2O2/c1-11(2)15(18-9-5-8-14(18)19)16(20)17-13-7-4-6-12(3)10-13/h11-13,15H,4-10H2,1-3H3,(H,17,20)/t12-,13-,15+/m1/s1
InChIKeyPXPHJHMOBOVNBU-NFAWXSAZSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds4

About (2S)-3-methyl-N-[(1R,3R)-3-methylcyclohexyl]-2-(2-oxopyrrolidin-1-yl)butanamide

(2S)-3-methyl-N-[(1R,3R)-3-methylcyclohexyl]-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 98730591) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is (2S)-3-methyl-N-[(1R,3R)-3-methylcyclohexyl]-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-3-methyl-N-[(1R,3R)-3-methylcyclohexyl]-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID98730591
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name(2S)-3-methyl-N-[(1R,3R)-3-methylcyclohexyl]-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC(C)[C@@H](C(=O)N[C@@H]1CCC[C@@H](C)C1)N1CCCC1=O
InChIInChI=1S/C16H28N2O2/c1-11(2)15(18-9-5-8-14(18)19)16(20)17-13-7-4-6-12(3)10-13/h11-13,15H,4-10H2,1-3H3,(H,17,20)/t12-,13-,15+/m1/s1
InChIKeyPXPHJHMOBOVNBU-NFAWXSAZSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-3-methyl-N-[(1R,3R)-3-methylcyclohexyl]-2-(2-oxopyrrolidin-1-yl)butanamide with MolForge

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Related Compounds

3-methyl-2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-ylbutanamide
CID 119389775
2-methyl-N-(3-methylcyclohexyl)propanamide
CID 60739958
N-(2-amino-2-methylpropyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride
CID 119629967
N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111461395
N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 119508806
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 128592950
1-[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]pyrrolidin-2-one
CID 110921329
N-(2-ethyl-2-hydroxybutyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111463359
2-amino-3-methyl-N-(3-methylcycloheptyl)butanamide
CID 59458270
(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]butanamide
CID 94817440
(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]butanamide
CID 94817439
N-[3-[[3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]phenyl]cyclopropanecarboxamide
CID 47088898

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-N-[(1R,3R)-3-methylcyclohexyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of (2S)-3-methyl-N-[(1R,3R)-3-methylcyclohexyl]-2-(2-oxopyrrolidin-1-yl)butanamide (CID 98730591) is (2S)-3-methyl-N-[(1R,3R)-3-methylcyclohexyl]-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2S)-3-methyl-N-[(1R,3R)-3-methylcyclohexyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for (2S)-3-methyl-N-[(1R,3R)-3-methylcyclohexyl]-2-(2-oxopyrrolidin-1-yl)butanamide is CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@@H](C)C1)N1CCCC1=O.
What is the InChIKey of (2S)-3-methyl-N-[(1R,3R)-3-methylcyclohexyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is PXPHJHMOBOVNBU-NFAWXSAZSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-11(2)15(18-9-5-8-14(18)19)16(20)17-13-7-4-6-12(3)10-13/h11-13,15H,4-10H2,1-3H3,(H,17,20)/t12-,13-,15+/m1/s1.
What are the key properties of (2S)-3-methyl-N-[(1R,3R)-3-methylcyclohexyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
(2S)-3-methyl-N-[(1R,3R)-3-methylcyclohexyl]-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 280.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-N-[(1R,3R)-3-methylcyclohexyl]-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 98730591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).