N-(3-methylbutyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C18H26N2O2 — CID 4245971

IUPACN-(3-methylbutyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C18H26N2O2/c1-14(2)8-10-19-18(22)16-12-17(21)20(13-16)11-9-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,19,22)
InChIKeyQQMJVWWVVYFKCP-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.24
Rot. Bonds7

About N-(3-methylbutyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

N-(3-methylbutyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 4245971) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(3-methylbutyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID4245971
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(3-methylbutyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C18H26N2O2/c1-14(2)8-10-19-18(22)16-12-17(21)20(13-16)11-9-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,19,22)
InChIKeyQQMJVWWVVYFKCP-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 4245971) is N-(3-methylbutyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is CC(C)CCNC(=O)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of N-(3-methylbutyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is QQMJVWWVVYFKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14(2)8-10-19-18(22)16-12-17(21)20(13-16)11-9-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,19,22).
What are the key properties of N-(3-methylbutyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-(3-methylbutyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 4245971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).