N-(4-tert-butylcyclohexyl)-1-(N-methylanilino)-5-oxopyrrolidine-3-carboxamide

C22H33N3O2 — CID 44764167

IUPACN-(4-tert-butylcyclohexyl)-1-(N-methylanilino)-5-oxopyrrolidine-3-carboxamide
SMILESCN(c1ccccc1)N1CC(C(=O)NC2CCC(C(C)(C)C)CC2)CC1=O
InChIInChI=1S/C22H33N3O2/c1-22(2,3)17-10-12-18(13-11-17)23-21(27)16-14-20(26)25(15-16)24(4)19-8-6-5-7-9-19/h5-9,16-18H,10-15H2,1-4H3,(H,23,27)
InChIKeyKMPRCIJVOXWRQK-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.61
Rot. Bonds4

About N-(4-tert-butylcyclohexyl)-1-(N-methylanilino)-5-oxopyrrolidine-3-carboxamide

N-(4-tert-butylcyclohexyl)-1-(N-methylanilino)-5-oxopyrrolidine-3-carboxamide (PubChem CID 44764167) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-1-(N-methylanilino)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-1-(N-methylanilino)-5-oxopyrrolidine-3-carboxamide
PubChem CID44764167
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-(4-tert-butylcyclohexyl)-1-(N-methylanilino)-5-oxopyrrolidine-3-carboxamide
SMILESCN(c1ccccc1)N1CC(C(=O)NC2CCC(C(C)(C)C)CC2)CC1=O
InChIInChI=1S/C22H33N3O2/c1-22(2,3)17-10-12-18(13-11-17)23-21(27)16-14-20(26)25(15-16)24(4)19-8-6-5-7-9-19/h5-9,16-18H,10-15H2,1-4H3,(H,23,27)
InChIKeyKMPRCIJVOXWRQK-UHFFFAOYSA-N
XLogP3.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-1-(N-methylanilino)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-tert-butylcyclohexyl)-1-(N-methylanilino)-5-oxopyrrolidine-3-carboxamide (CID 44764167) is N-(4-tert-butylcyclohexyl)-1-(N-methylanilino)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-1-(N-methylanilino)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-1-(N-methylanilino)-5-oxopyrrolidine-3-carboxamide is CN(c1ccccc1)N1CC(C(=O)NC2CCC(C(C)(C)C)CC2)CC1=O.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-1-(N-methylanilino)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KMPRCIJVOXWRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-22(2,3)17-10-12-18(13-11-17)23-21(27)16-14-20(26)25(15-16)24(4)19-8-6-5-7-9-19/h5-9,16-18H,10-15H2,1-4H3,(H,23,27).
What are the key properties of N-(4-tert-butylcyclohexyl)-1-(N-methylanilino)-5-oxopyrrolidine-3-carboxamide?
N-(4-tert-butylcyclohexyl)-1-(N-methylanilino)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-1-(N-methylanilino)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 44764167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).