N-[2,4-di(propan-2-yl)phenyl]-3-methylpyrrolidine-2-carboxamide

C18H28N2O — CID 102777869

IUPACN-[2,4-di(propan-2-yl)phenyl]-3-methylpyrrolidine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2NCCC2C)c(C(C)C)c1
InChIInChI=1S/C18H28N2O/c1-11(2)14-6-7-16(15(10-14)12(3)4)20-18(21)17-13(5)8-9-19-17/h6-7,10-13,17,19H,8-9H2,1-5H3,(H,20,21)
InChIKeyFKACGOQKWPXMRU-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.87
Rot. Bonds4

About N-[2,4-di(propan-2-yl)phenyl]-3-methylpyrrolidine-2-carboxamide

N-[2,4-di(propan-2-yl)phenyl]-3-methylpyrrolidine-2-carboxamide (PubChem CID 102777869) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[2,4-di(propan-2-yl)phenyl]-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2,4-di(propan-2-yl)phenyl]-3-methylpyrrolidine-2-carboxamide
PubChem CID102777869
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[2,4-di(propan-2-yl)phenyl]-3-methylpyrrolidine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2NCCC2C)c(C(C)C)c1
InChIInChI=1S/C18H28N2O/c1-11(2)14-6-7-16(15(10-14)12(3)4)20-18(21)17-13(5)8-9-19-17/h6-7,10-13,17,19H,8-9H2,1-5H3,(H,20,21)
InChIKeyFKACGOQKWPXMRU-UHFFFAOYSA-N
XLogP3.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 102779276
5-methyl-2-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102778964
N-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779794
N-(4-carbamoyl-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777919
3-fluoro-4-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779420
3-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]butanoic acid
CID 102780012
methyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate
CID 102777692
N-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777565
N-(2-methoxyphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102776806
2-(azetidin-3-yl)-N-[2,4-di(propan-2-yl)phenyl]propanamide
CID 116675423
N-[2-(dimethylamino)phenyl]-3-methylpyrrolidine-2-carboxamide
CID 102778094
N-(2,5-dimethoxyphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102776855

Frequently Asked Questions

What is the IUPAC name of N-[2,4-di(propan-2-yl)phenyl]-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2,4-di(propan-2-yl)phenyl]-3-methylpyrrolidine-2-carboxamide (CID 102777869) is N-[2,4-di(propan-2-yl)phenyl]-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2,4-di(propan-2-yl)phenyl]-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2,4-di(propan-2-yl)phenyl]-3-methylpyrrolidine-2-carboxamide is CC(C)c1ccc(NC(=O)C2NCCC2C)c(C(C)C)c1.
What is the InChIKey of N-[2,4-di(propan-2-yl)phenyl]-3-methylpyrrolidine-2-carboxamide?
The InChIKey is FKACGOQKWPXMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-11(2)14-6-7-16(15(10-14)12(3)4)20-18(21)17-13(5)8-9-19-17/h6-7,10-13,17,19H,8-9H2,1-5H3,(H,20,21).
What are the key properties of N-[2,4-di(propan-2-yl)phenyl]-3-methylpyrrolidine-2-carboxamide?
N-[2,4-di(propan-2-yl)phenyl]-3-methylpyrrolidine-2-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-di(propan-2-yl)phenyl]-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102777869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).