2-(3,4-dimethylphenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide

C23H30N2O — CID 138739466

IUPAC2-(3,4-dimethylphenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
SMILESCc1ccc(CC(=O)N(C)C(CN2CCCC2)c2ccccc2)cc1C
InChIInChI=1S/C23H30N2O/c1-18-11-12-20(15-19(18)2)16-23(26)24(3)22(17-25-13-7-8-14-25)21-9-5-4-6-10-21/h4-6,9-12,15,22H,7-8,13-14,16-17H2,1-3H3
InChIKeyUIVPPCUNQZBBNW-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.14
Rot. Bonds6

About 2-(3,4-dimethylphenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide

2-(3,4-dimethylphenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 138739466) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID138739466
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name2-(3,4-dimethylphenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
SMILESCc1ccc(CC(=O)N(C)C(CN2CCCC2)c2ccccc2)cc1C
InChIInChI=1S/C23H30N2O/c1-18-11-12-20(15-19(18)2)16-23(26)24(3)22(17-25-13-7-8-14-25)21-9-5-4-6-10-21/h4-6,9-12,15,22H,7-8,13-14,16-17H2,1-3H3
InChIKeyUIVPPCUNQZBBNW-UHFFFAOYSA-N
XLogP4.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 3298213
N-methyl-2-phenyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 86268656
N-methyl-2-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 118927562
ethane;N-methyl-2-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 91275660
N-methyl-2-phenyl-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]acetamide
CID 86268866
2-(4-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
CID 10452010
N-(2-amino-1-phenylethyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 146176829
N-benzhydryl-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 8918889
N-methyl-2-(4-nitrophenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 10109550
[2-[2-[methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]methylcarbamic acid
CID 22253496
2-anthracen-9-yl-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;hydrochloride
CID 10161599
2,2,2-trifluoro-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 11779548

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide (CID 138739466) is 2-(3,4-dimethylphenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide is Cc1ccc(CC(=O)N(C)C(CN2CCCC2)c2ccccc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is UIVPPCUNQZBBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-18-11-12-20(15-19(18)2)16-23(26)24(3)22(17-25-13-7-8-14-25)21-9-5-4-6-10-21/h4-6,9-12,15,22H,7-8,13-14,16-17H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
2-(3,4-dimethylphenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 350.51 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 138739466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).