1-(N-methylanilino)-N-(4-methylpentan-2-yl)-5-oxopyrrolidine-3-carboxamide

C18H27N3O2 — CID 44764176

IUPAC1-(N-methylanilino)-N-(4-methylpentan-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CC(C)NC(=O)C1CC(=O)N(N(C)c2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c1-13(2)10-14(3)19-18(23)15-11-17(22)21(12-15)20(4)16-8-6-5-7-9-16/h5-9,13-15H,10-12H2,1-4H3,(H,19,23)
InChIKeyAHJMOBSBNZYWBJ-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.44
Rot. Bonds6

About 1-(N-methylanilino)-N-(4-methylpentan-2-yl)-5-oxopyrrolidine-3-carboxamide

1-(N-methylanilino)-N-(4-methylpentan-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 44764176) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(N-methylanilino)-N-(4-methylpentan-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(N-methylanilino)-N-(4-methylpentan-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID44764176
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-(N-methylanilino)-N-(4-methylpentan-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CC(C)NC(=O)C1CC(=O)N(N(C)c2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c1-13(2)10-14(3)19-18(23)15-11-17(22)21(12-15)20(4)16-8-6-5-7-9-16/h5-9,13-15H,10-12H2,1-4H3,(H,19,23)
InChIKeyAHJMOBSBNZYWBJ-UHFFFAOYSA-N
XLogP2.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(N-methylanilino)-N-(4-methylpentan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(N-methylanilino)-N-(4-methylpentan-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 44764176) is 1-(N-methylanilino)-N-(4-methylpentan-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(N-methylanilino)-N-(4-methylpentan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(N-methylanilino)-N-(4-methylpentan-2-yl)-5-oxopyrrolidine-3-carboxamide is CC(C)CC(C)NC(=O)C1CC(=O)N(N(C)c2ccccc2)C1.
What is the InChIKey of 1-(N-methylanilino)-N-(4-methylpentan-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AHJMOBSBNZYWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(2)10-14(3)19-18(23)15-11-17(22)21(12-15)20(4)16-8-6-5-7-9-16/h5-9,13-15H,10-12H2,1-4H3,(H,19,23).
What are the key properties of 1-(N-methylanilino)-N-(4-methylpentan-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-(N-methylanilino)-N-(4-methylpentan-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-methylanilino)-N-(4-methylpentan-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 44764176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).