N-(3-methylbutyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C19H28N2O2 — CID 3422816

IUPACN-(3-methylbutyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CCN2CC(C(=O)NCCC(C)C)CC2=O)cc1
InChIInChI=1S/C19H28N2O2/c1-14(2)8-10-20-19(23)17-12-18(22)21(13-17)11-9-16-6-4-15(3)5-7-16/h4-7,14,17H,8-13H2,1-3H3,(H,20,23)
InChIKeyQVSQVNLWQRLOSK-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.55
Rot. Bonds7

About N-(3-methylbutyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

N-(3-methylbutyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 3422816) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID3422816
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-(3-methylbutyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CCN2CC(C(=O)NCCC(C)C)CC2=O)cc1
InChIInChI=1S/C19H28N2O2/c1-14(2)8-10-20-19(23)17-12-18(22)21(13-17)11-9-16-6-4-15(3)5-7-16/h4-7,14,17H,8-13H2,1-3H3,(H,20,23)
InChIKeyQVSQVNLWQRLOSK-UHFFFAOYSA-N
XLogP2.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 3422816) is N-(3-methylbutyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(CCN2CC(C(=O)NCCC(C)C)CC2=O)cc1.
What is the InChIKey of N-(3-methylbutyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QVSQVNLWQRLOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14(2)8-10-20-19(23)17-12-18(22)21(13-17)11-9-16-6-4-15(3)5-7-16/h4-7,14,17H,8-13H2,1-3H3,(H,20,23).
What are the key properties of N-(3-methylbutyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-(3-methylbutyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3422816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).