N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C16H22N2O2 — CID 110793335

IUPACN-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(C)c1ccc(CNC(=O)C2CCC(=O)N2)cc1
InChIInChI=1S/C16H22N2O2/c1-16(2,3)12-6-4-11(5-7-12)10-17-15(20)13-8-9-14(19)18-13/h4-7,13H,8-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyPDPKRVWCFNGBDZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.88
Rot. Bonds3

About N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110793335) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110793335
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(C)c1ccc(CNC(=O)C2CCC(=O)N2)cc1
InChIInChI=1S/C16H22N2O2/c1-16(2,3)12-6-4-11(5-7-12)10-17-15(20)13-8-9-14(19)18-13/h4-7,13H,8-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyPDPKRVWCFNGBDZ-UHFFFAOYSA-N
XLogP1.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793549
N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903
N-[(4-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide
CID 110196319
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628
N-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793891
N-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110471718
N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110663932
(2S)-N-(2-amino-2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 103807490
N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110794394
5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 51082730
(2S)-N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95612225
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 56781412

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 110793335) is N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is CC(C)(C)c1ccc(CNC(=O)C2CCC(=O)N2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is PDPKRVWCFNGBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2,3)12-6-4-11(5-7-12)10-17-15(20)13-8-9-14(19)18-13/h4-7,13H,8-10H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110793335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).