N-ethyl-N-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid

C33H57N3O5 — CID 161213558

IUPACN-ethyl-N-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCC1CCC(C(C)C)C(N2CC(C(=O)O)CC2=O)C1.CCN(C)C(=O)C1CC(=O)N(C2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C18H32N2O2.C15H25NO3/c1-6-19(5)18(22)14-10-17(21)20(11-14)16-9-13(4)7-8-15(16)12(2)3;1-9(2)12-5-4-10(3)6-13(12)16-8-11(15(18)19)7-14(16)17/h12-16H,6-11H2,1-5H3;9-13H,4-8H2,1-3H3,(H,18,19)
InChIKeyUWODZYWYYXVXBW-UHFFFAOYSA-N
MW575.84 g/mol
LogP5.15
Rot. Bonds7

About N-ethyl-N-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid

N-ethyl-N-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 161213558) has the molecular formula C33H57N3O5 and a molecular weight of 575.84 g/mol. Its IUPAC name is N-ethyl-N-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound NameN-ethyl-N-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID161213558
Molecular FormulaC33H57N3O5
Molecular Weight575.84 g/mol
Exact Mass575.43
IUPAC NameN-ethyl-N-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCC1CCC(C(C)C)C(N2CC(C(=O)O)CC2=O)C1.CCN(C)C(=O)C1CC(=O)N(C2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C18H32N2O2.C15H25NO3/c1-6-19(5)18(22)14-10-17(21)20(11-14)16-9-13(4)7-8-15(16)12(2)3;1-9(2)12-5-4-10(3)6-13(12)16-8-11(15(18)19)7-14(16)17/h12-16H,6-11H2,1-5H3;9-13H,4-8H2,1-3H3,(H,18,19)
InChIKeyUWODZYWYYXVXBW-UHFFFAOYSA-N
XLogP5.15
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.84
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-N-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

(3R)-N-[(2S)-2-hydroxypropyl]-N-methyl-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 99775238
2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119172024
1-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]-5-oxopyrrolidine-2-carboxylic acid
CID 67695607
2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119209014
(3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 95280942
N-ethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide
CID 16734901
N-butan-2-yl-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 78858369
(3R)-1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 11938415
1-(2-methoxycyclopentyl)-5-oxopyrrolidine-3-carboxylic acid
CID 62086742
1-[4-(dimethylamino)cyclohexyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690671
(3S)-N-cyclopropyl-N-[(2S)-3-methylbutan-2-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 99805772
(3S)-1-cyclopentyl-N-[(1R)-1-cyclopropylethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95353422

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of N-ethyl-N-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid (CID 161213558) is N-ethyl-N-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for N-ethyl-N-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for N-ethyl-N-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid is CC1CCC(C(C)C)C(N2CC(C(=O)O)CC2=O)C1.CCN(C)C(=O)C1CC(=O)N(C2CC(C)CCC2C(C)C)C1.
What is the InChIKey of N-ethyl-N-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is UWODZYWYYXVXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2.C15H25NO3/c1-6-19(5)18(22)14-10-17(21)20(11-14)16-9-13(4)7-8-15(16)12(2)3;1-9(2)12-5-4-10(3)6-13(12)16-8-11(15(18)19)7-14(16)17/h12-16H,6-11H2,1-5H3;9-13H,4-8H2,1-3H3,(H,18,19).
What are the key properties of N-ethyl-N-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid?
N-ethyl-N-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 575.84 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;1-(5-methyl-2-propan-2-ylcyclohexyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 161213558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).