N-(2-tert-butylphenyl)-4-methylpyrrolidine-3-carboxamide

C16H24N2O — CID 63714112

IUPACN-(2-tert-butylphenyl)-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C16H24N2O/c1-11-9-17-10-12(11)15(19)18-14-8-6-5-7-13(14)16(2,3)4/h5-8,11-12,17H,9-10H2,1-4H3,(H,18,19)
InChIKeyMWDGBUDVSYNUPM-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.78
Rot. Bonds2

About N-(2-tert-butylphenyl)-4-methylpyrrolidine-3-carboxamide

N-(2-tert-butylphenyl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 63714112) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-4-methylpyrrolidine-3-carboxamide
PubChem CID63714112
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(2-tert-butylphenyl)-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C16H24N2O/c1-11-9-17-10-12(11)15(19)18-14-8-6-5-7-13(14)16(2,3)4/h5-8,11-12,17H,9-10H2,1-4H3,(H,18,19)
InChIKeyMWDGBUDVSYNUPM-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 63714277
2-[(2-tert-butylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 22688945
4-methyl-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 55229769
N-(3-bromo-2-hydroxyphenyl)-4-methylpyrrolidine-3-carboxamide
CID 81496464
N-(2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 55231498
1-N-tert-butyl-2-N-(2-tert-butylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139608
4-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide
CID 63714279
N-(5-tert-butyl-2-methoxyphenyl)-4-methylpyrrolidine-3-carboxamide
CID 63716109
ethyl 2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 63714826
1-N-(2-tert-butylphenyl)-2-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141992
N-(2-tert-butylphenyl)cyclopentanecarboxamide
CID 7688669
2-(azetidin-3-yl)-N-(2-tert-butylphenyl)acetamide
CID 64617575

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-4-methylpyrrolidine-3-carboxamide (CID 63714112) is N-(2-tert-butylphenyl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-4-methylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylphenyl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is MWDGBUDVSYNUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-9-17-10-12(11)15(19)18-14-8-6-5-7-13(14)16(2,3)4/h5-8,11-12,17H,9-10H2,1-4H3,(H,18,19).
What are the key properties of N-(2-tert-butylphenyl)-4-methylpyrrolidine-3-carboxamide?
N-(2-tert-butylphenyl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63714112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).