(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

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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).