1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C18H26N2O2 — CID 46420018

IUPAC1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)Nc2cccc(C(C)C)c2)CC1=O
InChIInChI=1S/C18H26N2O2/c1-12(2)10-20-11-15(9-17(20)21)18(22)19-16-7-5-6-14(8-16)13(3)4/h5-8,12-13,15H,9-11H2,1-4H3,(H,19,22)
InChIKeyYVKQQKYNWIKCIT-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.25
Rot. Bonds5

About 1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 46420018) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID46420018
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)Nc2cccc(C(C)C)c2)CC1=O
InChIInChI=1S/C18H26N2O2/c1-12(2)10-20-11-15(9-17(20)21)18(22)19-16-7-5-6-14(8-16)13(3)4/h5-8,12-13,15H,9-11H2,1-4H3,(H,19,22)
InChIKeyYVKQQKYNWIKCIT-UHFFFAOYSA-N
XLogP3.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-methylbutanoylamino)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46597202
1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113182040
(3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 92898745
methyl 2-[4-[[(3R)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetate
CID 37028365
N-[4-(tert-butylcarbamoyl)phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46598239
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42999603
4-amino-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 60848284
(3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 30785844
(3S)-1-(2-methylpropyl)-5-oxo-N-(4-oxo-3H-quinazolin-6-yl)pyrrolidine-3-carboxamide
CID 136849640
N-(3-acetamidophenyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 113184138
(3R)-N-(3-acetamidophenyl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 29130415
5-oxo-1-pentyl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113185719

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 46420018) is 1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(C)CN1CC(C(=O)Nc2cccc(C(C)C)c2)CC1=O.
What is the InChIKey of 1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is YVKQQKYNWIKCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12(2)10-20-11-15(9-17(20)21)18(22)19-16-7-5-6-14(8-16)13(3)4/h5-8,12-13,15H,9-11H2,1-4H3,(H,19,22).
What are the key properties of 1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 46420018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).