N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide

C16H24N2O — CID 102778607

IUPACN-[(2,4-dimethylphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2NCCC2C)c(C)c1
InChIInChI=1S/C16H24N2O/c1-11-5-6-14(13(3)9-11)10-18(4)16(19)15-12(2)7-8-17-15/h5-6,9,12,15,17H,7-8,10H2,1-4H3
InChIKeyPVVITWVOJKMVPO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.26
Rot. Bonds3

About N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide

N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide (PubChem CID 102778607) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide
PubChem CID102778607
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2NCCC2C)c(C)c1
InChIInChI=1S/C16H24N2O/c1-11-5-6-14(13(3)9-11)10-18(4)16(19)15-12(2)7-8-17-15/h5-6,9,12,15,17H,7-8,10H2,1-4H3
InChIKeyPVVITWVOJKMVPO-UHFFFAOYSA-N
XLogP2.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide
CID 102778901
cis-(1S,2R)-2-[(2,4-dimethylphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114091785
N-[(2,4-dichlorophenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
CID 107067660
4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512212
N-ethyl-3-methyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 102778923
2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpropanamide
CID 43346987
N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide
CID 47021840
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106974588
N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139140
N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine
CID 83713467
3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685871
(2R,3S)-N,2-dimethyl-N-[(3-methylphenyl)methyl]morpholine-3-carboxamide
CID 120923405

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide (CID 102778607) is N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide is Cc1ccc(CN(C)C(=O)C2NCCC2C)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide?
The InChIKey is PVVITWVOJKMVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-5-6-14(13(3)9-11)10-18(4)16(19)15-12(2)7-8-17-15/h5-6,9,12,15,17H,7-8,10H2,1-4H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide?
N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102778607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).