N-methyl-N-[4-(2-methylpropyl)phenyl]pyrrolidine-2-carboxamide

C16H24N2O — CID 115159200

IUPACN-methyl-N-[4-(2-methylpropyl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)Cc1ccc(N(C)C(=O)C2CCCN2)cc1
InChIInChI=1S/C16H24N2O/c1-12(2)11-13-6-8-14(9-7-13)18(3)16(19)15-5-4-10-17-15/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyKPTVWXQKDHDZQT-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.60
Rot. Bonds4

About N-methyl-N-[4-(2-methylpropyl)phenyl]pyrrolidine-2-carboxamide

N-methyl-N-[4-(2-methylpropyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 115159200) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-methyl-N-[4-(2-methylpropyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[4-(2-methylpropyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID115159200
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-methyl-N-[4-(2-methylpropyl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)Cc1ccc(N(C)C(=O)C2CCCN2)cc1
InChIInChI=1S/C16H24N2O/c1-12(2)11-13-6-8-14(9-7-13)18(3)16(19)15-5-4-10-17-15/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyKPTVWXQKDHDZQT-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 550989
[4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone
CID 64868969
2-[4-(2-methylpropyl)phenyl]-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 147204256
N-(4-cyclopropylphenyl)-N-methylpyrrolidine-2-carboxamide
CID 175979802
(2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 113266153
(2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide
CID 103809324
(2S)-N-(4-carbamimidoylphenyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 67666152
N-(3,4-difluorophenyl)-N-methylpiperidine-2-carboxamide
CID 115159731
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylpyrrolidine-2-carboxamide
CID 169286660
(2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119266906
N-methyl-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide
CID 119893081
N-methyl-N-(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide
CID 115159253

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(2-methylpropyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-N-[4-(2-methylpropyl)phenyl]pyrrolidine-2-carboxamide (CID 115159200) is N-methyl-N-[4-(2-methylpropyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[4-(2-methylpropyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-N-[4-(2-methylpropyl)phenyl]pyrrolidine-2-carboxamide is CC(C)Cc1ccc(N(C)C(=O)C2CCCN2)cc1.
What is the InChIKey of N-methyl-N-[4-(2-methylpropyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is KPTVWXQKDHDZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)11-13-6-8-14(9-7-13)18(3)16(19)15-5-4-10-17-15/h6-9,12,15,17H,4-5,10-11H2,1-3H3.
What are the key properties of N-methyl-N-[4-(2-methylpropyl)phenyl]pyrrolidine-2-carboxamide?
N-methyl-N-[4-(2-methylpropyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(2-methylpropyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 115159200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).