N-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide

C16H24N2O — CID 55165707

IUPACN-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(C(C)(C)C)cc2)CCNC1
InChIInChI=1S/C16H24N2O/c1-15(2,3)12-5-7-13(8-6-12)18-14(19)16(4)9-10-17-11-16/h5-8,17H,9-11H2,1-4H3,(H,18,19)
InChIKeySAAFOORVOPWMCW-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.92
Rot. Bonds2

About N-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide

N-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 55165707) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID55165707
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(C(C)(C)C)cc2)CCNC1
InChIInChI=1S/C16H24N2O/c1-15(2,3)12-5-7-13(8-6-12)18-14(19)16(4)9-10-17-11-16/h5-8,17H,9-11H2,1-4H3,(H,18,19)
InChIKeySAAFOORVOPWMCW-UHFFFAOYSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenyl]propanoic acid
CID 80549555
(E)-3-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115342383
N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670703
N-(4-acetamidophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943521
N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165517
N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670891
4-methyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 63121506
N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63140585
N-(4-fluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119707219
methyl 2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetate
CID 63139631
3-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119702351
3-methyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 63131065

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide (CID 55165707) is N-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide is CC1(C(=O)Nc2ccc(C(C)(C)C)cc2)CCNC1.
What is the InChIKey of N-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is SAAFOORVOPWMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-15(2,3)12-5-7-13(8-6-12)18-14(19)16(4)9-10-17-11-16/h5-8,17H,9-11H2,1-4H3,(H,18,19).
What are the key properties of N-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide?
N-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55165707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).