N-(3,4-dimethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide

C15H22N2O — CID 110857374

IUPACN-(3,4-dimethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
SMILESCc1ccc(NC(=O)CC2CCCN2C)cc1C
InChIInChI=1S/C15H22N2O/c1-11-6-7-13(9-12(11)2)16-15(18)10-14-5-4-8-17(14)3/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeyCGGXBSRMMFMGSU-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.73
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide

N-(3,4-dimethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide (PubChem CID 110857374) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
PubChem CID110857374
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(3,4-dimethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
SMILESCc1ccc(NC(=O)CC2CCCN2C)cc1C
InChIInChI=1S/C15H22N2O/c1-11-6-7-13(9-12(11)2)16-15(18)10-14-5-4-8-17(14)3/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeyCGGXBSRMMFMGSU-UHFFFAOYSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110856788
N-(4-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110856796
N-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110859521
N-(4-acetylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110861173
N-(4-ethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110857805
N-(4-tert-butylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110858473
N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-2-(1-methylpiperidin-2-yl)acetamide
CID 131938414
N-(3-chloro-4-methoxyphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110859529
2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862093
N-(3-acetylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110861048
N-(2,6-dimethylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110857550
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide (CID 110857374) is N-(3,4-dimethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide is Cc1ccc(NC(=O)CC2CCCN2C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide?
The InChIKey is CGGXBSRMMFMGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-6-7-13(9-12(11)2)16-15(18)10-14-5-4-8-17(14)3/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,16,18).
What are the key properties of N-(3,4-dimethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide?
N-(3,4-dimethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide has a molecular weight of 246.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide is sourced from PubChem (CID 110857374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).