1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-N-methylpyrrolidine-2-carboxamide

C16H29N3O2 — CID 102628551

IUPAC1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C16H29N3O2/c1-10-12(17)8-7-11(16(10,2)3)15(21)19-9-5-6-13(19)14(20)18-4/h10-13H,5-9,17H2,1-4H3,(H,18,20)
InChIKeyVENBKBVVOFFOTL-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.12
Rot. Bonds2

About 1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-N-methylpyrrolidine-2-carboxamide

1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 102628551) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID102628551
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C16H29N3O2/c1-10-12(17)8-7-11(16(10,2)3)15(21)19-9-5-6-13(19)14(20)18-4/h10-13H,5-9,17H2,1-4H3,(H,18,20)
InChIKeyVENBKBVVOFFOTL-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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Related Compounds

(4-amino-2,2,3-trimethylcyclohexyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 102628765
1-(2-aminocyclopentanecarbonyl)-N-methylpiperidine-2-carboxamide
CID 64824181
(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 71357643
2-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 103978471
(2S)-N-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 93376645
(2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 78922595
4-amino-N-(2,6-dimethylpiperidin-1-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629161
1-(N'-hydroxycarbamimidoyl)-N-methylpiperidine-2-carboxamide
CID 76944384
(4-amino-2,2,3-trimethylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
CID 102628701
methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 115606581
4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide
CID 102628769
(4-amino-2,2,3-trimethylcyclohexyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 102628392

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-N-methylpyrrolidine-2-carboxamide (CID 102628551) is 1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)C1CCC(N)C(C)C1(C)C.
What is the InChIKey of 1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is VENBKBVVOFFOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-10-12(17)8-7-11(16(10,2)3)15(21)19-9-5-6-13(19)14(20)18-4/h10-13H,5-9,17H2,1-4H3,(H,18,20).
What are the key properties of 1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-N-methylpyrrolidine-2-carboxamide?
1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-N-methylpyrrolidine-2-carboxamide 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 1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102628551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).