1-(N-methylanilino)-N-(3-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide

C19H27N3O2 — CID 44764181

IUPAC1-(N-methylanilino)-N-(3-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCCC(NC(=O)C2CC(=O)N(N(C)c3ccccc3)C2)C1
InChIInChI=1S/C19H27N3O2/c1-14-7-6-8-16(11-14)20-19(24)15-12-18(23)22(13-15)21(2)17-9-4-3-5-10-17/h3-5,9-10,14-16H,6-8,11-13H2,1-2H3,(H,20,24)
InChIKeyKMYNJNOOFZMOKL-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.58
Rot. Bonds4

About 1-(N-methylanilino)-N-(3-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide

1-(N-methylanilino)-N-(3-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 44764181) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-(N-methylanilino)-N-(3-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(N-methylanilino)-N-(3-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID44764181
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-(N-methylanilino)-N-(3-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCCC(NC(=O)C2CC(=O)N(N(C)c3ccccc3)C2)C1
InChIInChI=1S/C19H27N3O2/c1-14-7-6-8-16(11-14)20-19(24)15-12-18(23)22(13-15)21(2)17-9-4-3-5-10-17/h3-5,9-10,14-16H,6-8,11-13H2,1-2H3,(H,20,24)
InChIKeyKMYNJNOOFZMOKL-UHFFFAOYSA-N
XLogP2.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.58
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-(3-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(N-methylanilino)-N-(3-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide (CID 44764181) is 1-(N-methylanilino)-N-(3-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(N-methylanilino)-N-(3-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(N-methylanilino)-N-(3-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide is CC1CCCC(NC(=O)C2CC(=O)N(N(C)c3ccccc3)C2)C1.
What is the InChIKey of 1-(N-methylanilino)-N-(3-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KMYNJNOOFZMOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-7-6-8-16(11-14)20-19(24)15-12-18(23)22(13-15)21(2)17-9-4-3-5-10-17/h3-5,9-10,14-16H,6-8,11-13H2,1-2H3,(H,20,24).
What are the key properties of 1-(N-methylanilino)-N-(3-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
1-(N-methylanilino)-N-(3-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-methylanilino)-N-(3-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 44764181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).