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

C16H28N2O3 — CID 99847067

IUPAC(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]butanamide
SMILESCC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@@H]1CCN(C)C1=O
InChIInChI=1S/C16H28N2O3/c1-4-14(21-12-7-5-6-11(2)10-12)15(19)17-13-8-9-18(3)16(13)20/h11-14H,4-10H2,1-3H3,(H,17,19)/t11-,12-,13-,14+/m1/s1
InChIKeySGRIZKDUGOAPQH-SYQHCUMBSA-N
MW296.41 g/mol
LogP1.71
Rot. Bonds5

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

(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]butanamide (PubChem CID 99847067) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is (2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]butanamide
PubChem CID99847067
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]butanamide
SMILESCC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@@H]1CCN(C)C1=O
InChIInChI=1S/C16H28N2O3/c1-4-14(21-12-7-5-6-11(2)10-12)15(19)17-13-8-9-18(3)16(13)20/h11-14H,4-10H2,1-3H3,(H,17,19)/t11-,12-,13-,14+/m1/s1
InChIKeySGRIZKDUGOAPQH-SYQHCUMBSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-[3-(Dimethylamino)-4-methylpyrrolidin-1-yl]-2-(3-methylcyclohexyl)oxyethanone
CID 71927982
3-Methyl-2-[2-(3-methylcyclohexyl)oxybutanoylamino]butanamide
CID 72114964
2-(3-methylcyclohexyl)oxy-N-[1-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]acetamide
CID 75371132
2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]acetamide;N-butyl-2-(3-methylcyclohexyl)oxyacetamide;propane
CID 144123351
N-(2-aminoethyl)-4-[cyclohexylmethyl(oxolan-2-ylmethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 24105842
2-(3-methylcyclohexyl)oxy-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793790
2-(2-methylcyclohexyl)oxy-N-(1-methylpyrrolidin-3-yl)acetamide
CID 56789540
N-methyl-2-[4-[[2-(3-methylcyclohexyl)oxyacetyl]amino]piperidin-1-yl]acetamide
CID 60302140
2-(3-methylcyclohexyl)oxy-N-(1-propanoylpyrrolidin-3-yl)acetamide
CID 71849453
2-cyclohexyloxy-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide
CID 71918748
2-(3-methylcyclohexyl)oxy-N-(1-methyl-2-oxopyrrolidin-3-yl)butanamide
CID 71994591
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(3-methylcyclohexyl)oxybutanamide
CID 71994764

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]butanamide?
The IUPAC name of (2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]butanamide (CID 99847067) is (2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]butanamide.
What is the SMILES notation for (2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]butanamide?
The canonical SMILES for (2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]butanamide is CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@@H]1CCN(C)C1=O.
What is the InChIKey of (2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]butanamide?
The InChIKey is SGRIZKDUGOAPQH-SYQHCUMBSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-14(21-12-7-5-6-11(2)10-12)15(19)17-13-8-9-18(3)16(13)20/h11-14H,4-10H2,1-3H3,(H,17,19)/t11-,12-,13-,14+/m1/s1.
What are the key properties of (2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]butanamide?
(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]butanamide has a molecular weight of 296.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]butanamide is sourced from PubChem (CID 99847067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).