3-methyl-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide

C14H20N2O — CID 143494865

IUPAC3-methyl-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(CN2CCC(C)C2C(N)=O)c1
InChIInChI=1S/C14H20N2O/c1-10-4-3-5-12(8-10)9-16-7-6-11(2)13(16)14(15)17/h3-5,8,11,13H,6-7,9H2,1-2H3,(H2,15,17)
InChIKeyMNNXXAUEJKALBP-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.69
Rot. Bonds3

About 3-methyl-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide

3-methyl-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 143494865) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-methyl-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID143494865
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-methyl-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(CN2CCC(C)C2C(N)=O)c1
InChIInChI=1S/C14H20N2O/c1-10-4-3-5-12(8-10)9-16-7-6-11(2)13(16)14(15)17/h3-5,8,11,13H,6-7,9H2,1-2H3,(H2,15,17)
InChIKeyMNNXXAUEJKALBP-UHFFFAOYSA-N
XLogP1.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 102788811
(2S)-1-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]azetidine-2-carboxamide
CID 175607279
ethyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 791469
4-ethyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 114431017
ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 2837990
1-[(2,4-dimethylphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786561
1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784435
2,3-dimethyl-1-[(3-methylphenyl)methyl]piperidin-4-one
CID 79398439
tert-butyl (2R)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxylate
CID 80709993
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]indiginane-2-carboxamide;dihydrochloride
CID 142683542
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
1-[(3-chloro-4-hydroxyphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102787029

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide (CID 143494865) is 3-methyl-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide is Cc1cccc(CN2CCC(C)C2C(N)=O)c1.
What is the InChIKey of 3-methyl-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is MNNXXAUEJKALBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-4-3-5-12(8-10)9-16-7-6-11(2)13(16)14(15)17/h3-5,8,11,13H,6-7,9H2,1-2H3,(H2,15,17).
What are the key properties of 3-methyl-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide?
3-methyl-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 143494865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).