N-(5-tert-butyl-2-methoxyphenyl)-4-methylpyrrolidine-3-carboxamide

C17H26N2O2 — CID 63716109

IUPACN-(5-tert-butyl-2-methoxyphenyl)-4-methylpyrrolidine-3-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)C1CNCC1C
InChIInChI=1S/C17H26N2O2/c1-11-9-18-10-13(11)16(20)19-14-8-12(17(2,3)4)6-7-15(14)21-5/h6-8,11,13,18H,9-10H2,1-5H3,(H,19,20)
InChIKeyKLUJSYNMAOOSOL-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.79
Rot. Bonds3

About N-(5-tert-butyl-2-methoxyphenyl)-4-methylpyrrolidine-3-carboxamide

N-(5-tert-butyl-2-methoxyphenyl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 63716109) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-4-methylpyrrolidine-3-carboxamide
PubChem CID63716109
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-4-methylpyrrolidine-3-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)C1CNCC1C
InChIInChI=1S/C17H26N2O2/c1-11-9-18-10-13(11)16(20)19-14-8-12(17(2,3)4)6-7-15(14)21-5/h6-8,11,13,18H,9-10H2,1-5H3,(H,19,20)
InChIKeyKLUJSYNMAOOSOL-UHFFFAOYSA-N
XLogP2.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 7028753
N-(2-methoxy-5-nitrophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714092
N-(4,5-dimethoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714118
N-(2-tert-butylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714112
(3S,4S)-N-(4-methoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 114084896
(3R)-N-(5-tert-butyl-2-methoxyphenyl)-1,1-dioxothiolane-3-carboxamide
CID 41141595
(1R,2S,3R,4R)-3-[(5-tert-butyl-2-methoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98115642
4-methyl-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 55229769
methyl 4-fluoro-2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 63715623
N-(5-tert-butyl-2-methoxyphenyl)-1-cyanoformamide
CID 115171825
N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide
CID 24657024
N-(5-tert-butyl-2-methoxyphenyl)-2-methyl-2-(methylamino)propanamide
CID 62836730

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-4-methylpyrrolidine-3-carboxamide (CID 63716109) is N-(5-tert-butyl-2-methoxyphenyl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-4-methylpyrrolidine-3-carboxamide is COc1ccc(C(C)(C)C)cc1NC(=O)C1CNCC1C.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is KLUJSYNMAOOSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11-9-18-10-13(11)16(20)19-14-8-12(17(2,3)4)6-7-15(14)21-5/h6-8,11,13,18H,9-10H2,1-5H3,(H,19,20).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-4-methylpyrrolidine-3-carboxamide?
N-(5-tert-butyl-2-methoxyphenyl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63716109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).