N-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C16H22N2O2 — CID 110793549

IUPACN-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCC(C)c1ccc(CNC(=O)C2CCC(=O)N2)cc1
InChIInChI=1S/C16H22N2O2/c1-3-11(2)13-6-4-12(5-7-13)10-17-16(20)14-8-9-15(19)18-14/h4-7,11,14H,3,8-10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyFDDXASXKLMSUJS-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.09
Rot. Bonds5

About N-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

N-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110793549) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110793549
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCC(C)c1ccc(CNC(=O)C2CCC(=O)N2)cc1
InChIInChI=1S/C16H22N2O2/c1-3-11(2)13-6-4-12(5-7-13)10-17-16(20)14-8-9-15(19)18-14/h4-7,11,14H,3,8-10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyFDDXASXKLMSUJS-UHFFFAOYSA-N
XLogP2.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793335
N-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793891
5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 51082730
N-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide
CID 110780449
(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
5-oxo-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 110794754
N-[(4-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide
CID 110196319
N-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110471718
2-[(4-butan-2-ylphenyl)methylamino]-2-oxoacetic acid
CID 115141302
N-[(2-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110475894
N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110794394

Frequently Asked Questions

What is the IUPAC name of N-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 110793549) is N-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is CCC(C)c1ccc(CNC(=O)C2CCC(=O)N2)cc1.
What is the InChIKey of N-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is FDDXASXKLMSUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-11(2)13-6-4-12(5-7-13)10-17-16(20)14-8-9-15(19)18-14/h4-7,11,14H,3,8-10H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110793549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).