5-amino-N,2,4-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide

C16H29N3O2 — CID 102706607

IUPAC5-amino-N,2,4-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
SMILESCC1CC(C)C(C(=O)N(C)CC(=O)N2CCCC2)CC1N
InChIInChI=1S/C16H29N3O2/c1-11-8-12(2)14(17)9-13(11)16(21)18(3)10-15(20)19-6-4-5-7-19/h11-14H,4-10,17H2,1-3H3
InChIKeyAHOFGYKRNKQRSJ-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.08
Rot. Bonds3

About 5-amino-N,2,4-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide

5-amino-N,2,4-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide (PubChem CID 102706607) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 5-amino-N,2,4-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N,2,4-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
PubChem CID102706607
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name5-amino-N,2,4-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
SMILESCC1CC(C)C(C(=O)N(C)CC(=O)N2CCCC2)CC1N
InChIInChI=1S/C16H29N3O2/c1-11-8-12(2)14(17)9-13(11)16(21)18(3)10-15(20)19-6-4-5-7-19/h11-14H,4-10,17H2,1-3H3
InChIKeyAHOFGYKRNKQRSJ-UHFFFAOYSA-N
XLogP1.08
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(2-amino-2-oxoethyl)-N,2,4-trimethylcyclohexane-1-carboxamide
CID 102706526
5-amino-N-[2-(diethylamino)-2-oxoethyl]-N,2,4-trimethylcyclohexane-1-carboxamide
CID 102706605
2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 60948599
5-amino-N,2,4-trimethyl-N-propylcyclohexane-1-carboxamide
CID 102706518
5-amino-N-(3-hydroxybutyl)-N,2,4-trimethylcyclohexane-1-carboxamide
CID 102706923
5-amino-N,2,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 102706568
N,2-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 79389017
5-amino-N,2,4-trimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 102706896
trans-(1R,2R)-2-(4-bromophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 52528149
2-[(2-aminocyclopentyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 61442365
N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 63005448
1-[2-[[(1R,2R)-2-ethoxycyclopropanecarbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 129467272

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,2,4-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N,2,4-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide (CID 102706607) is 5-amino-N,2,4-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N,2,4-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N,2,4-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide is CC1CC(C)C(C(=O)N(C)CC(=O)N2CCCC2)CC1N.
What is the InChIKey of 5-amino-N,2,4-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is AHOFGYKRNKQRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-11-8-12(2)14(17)9-13(11)16(21)18(3)10-15(20)19-6-4-5-7-19/h11-14H,4-10,17H2,1-3H3.
What are the key properties of 5-amino-N,2,4-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide?
5-amino-N,2,4-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,2,4-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 102706607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).