N-[1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)pyrrolidin-3-yl]acetamide

C16H29N3O2 — CID 102629191

IUPACN-[1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)C2CCC(N)C(C)C2(C)C)C1
InChIInChI=1S/C16H29N3O2/c1-10-14(17)6-5-13(16(10,3)4)15(21)19-8-7-12(9-19)18-11(2)20/h10,12-14H,5-9,17H2,1-4H3,(H,18,20)
InChIKeyNGKFCKXKXBQOFE-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.12
Rot. Bonds2

About N-[1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)pyrrolidin-3-yl]acetamide

N-[1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 102629191) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)pyrrolidin-3-yl]acetamide
PubChem CID102629191
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)C2CCC(N)C(C)C2(C)C)C1
InChIInChI=1S/C16H29N3O2/c1-10-14(17)6-5-13(16(10,3)4)15(21)19-8-7-12(9-19)18-11(2)20/h10,12-14H,5-9,17H2,1-4H3,(H,18,20)
InChIKeyNGKFCKXKXBQOFE-UHFFFAOYSA-N
XLogP1.12
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)pyrrolidin-3-yl]acetamide (CID 102629191) is N-[1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(C(=O)C2CCC(N)C(C)C2(C)C)C1.
What is the InChIKey of N-[1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is NGKFCKXKXBQOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-10-14(17)6-5-13(16(10,3)4)15(21)19-8-7-12(9-19)18-11(2)20/h10,12-14H,5-9,17H2,1-4H3,(H,18,20).
What are the key properties of N-[1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)pyrrolidin-3-yl]acetamide?
N-[1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 295.43 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 102629191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).