3-(2,4-dimethylphenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide

C23H28N2O2 — CID 60610174

IUPAC3-(2,4-dimethylphenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCc1ccc(CCC(=O)Nc2cccc(C(=O)N3CCCC3)c2C)c(C)c1
InChIInChI=1S/C23H28N2O2/c1-16-9-10-19(17(2)15-16)11-12-22(26)24-21-8-6-7-20(18(21)3)23(27)25-13-4-5-14-25/h6-10,15H,4-5,11-14H2,1-3H3,(H,24,26)
InChIKeyWRYZBVVFINAXLH-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.42
Rot. Bonds5

About 3-(2,4-dimethylphenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide

3-(2,4-dimethylphenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide (PubChem CID 60610174) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide
PubChem CID60610174
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name3-(2,4-dimethylphenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCc1ccc(CCC(=O)Nc2cccc(C(=O)N3CCCC3)c2C)c(C)c1
InChIInChI=1S/C23H28N2O2/c1-16-9-10-19(17(2)15-16)11-12-22(26)24-21-8-6-7-20(18(21)3)23(27)25-13-4-5-14-25/h6-10,15H,4-5,11-14H2,1-3H3,(H,24,26)
InChIKeyWRYZBVVFINAXLH-UHFFFAOYSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 55777037
3-(4-bromo-2-fluorophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 52815742
3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119310023
N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-2-ylpropanamide
CID 60610430
4-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 120561704
2-(4-aminophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119760315
2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 168521727
2-(1-hydroxycyclohexyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 111332036
3-(2-chlorophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 17179010
N-(3-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)acetamide
CID 100746423
methyl 3-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-methylbenzoate
CID 100717665
3-amino-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 119310619

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide (CID 60610174) is 3-(2,4-dimethylphenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide is Cc1ccc(CCC(=O)Nc2cccc(C(=O)N3CCCC3)c2C)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The InChIKey is WRYZBVVFINAXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-16-9-10-19(17(2)15-16)11-12-22(26)24-21-8-6-7-20(18(21)3)23(27)25-13-4-5-14-25/h6-10,15H,4-5,11-14H2,1-3H3,(H,24,26).
What are the key properties of 3-(2,4-dimethylphenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide?
3-(2,4-dimethylphenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide has a molecular weight of 364.49 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 60610174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).