4-(methoxymethyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide

C21H24N2O3 — CID 47035979

IUPAC4-(methoxymethyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCOCc1ccc(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)cc1
InChIInChI=1S/C21H24N2O3/c1-15-6-5-7-18(19(15)21(25)23-12-3-4-13-23)22-20(24)17-10-8-16(9-11-17)14-26-2/h5-11H,3-4,12-14H2,1-2H3,(H,22,24)
InChIKeyJJCJZTOPLWPOIV-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.63
Rot. Bonds5

About 4-(methoxymethyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide

4-(methoxymethyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 47035979) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID47035979
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name4-(methoxymethyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCOCc1ccc(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)cc1
InChIInChI=1S/C21H24N2O3/c1-15-6-5-7-18(19(15)21(25)23-12-3-4-13-23)22-20(24)17-10-8-16(9-11-17)14-26-2/h5-11H,3-4,12-14H2,1-2H3,(H,22,24)
InChIKeyJJCJZTOPLWPOIV-UHFFFAOYSA-N
XLogP3.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119715803
3-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 119715820
4-(3,5-dimethylpyrazol-1-yl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55715651
4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide
CID 55776443
methyl 3-[3,5-dimethyl-1-[4-[[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]pyrazol-4-yl]propanoate
CID 55776539
2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55715681
[4-[[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl] 2,5-dimethylbenzenesulfonate
CID 55776473
5,6-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 55776635
2-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-5-methylsulfonylbenzamide
CID 55714655
4-ethoxy-N-[3-methyl-1-[3-methyl-2-(pyrrolidine-1-carbonyl)anilino]-1-oxobutan-2-yl]benzamide
CID 55776697
4-benzoyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxamide
CID 112826100
2-(cyclopropylmethoxy)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 51080949

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-(methoxymethyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 47035979) is 4-(methoxymethyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-(methoxymethyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide is COCc1ccc(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)cc1.
What is the InChIKey of 4-(methoxymethyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is JJCJZTOPLWPOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-6-5-7-18(19(15)21(25)23-12-3-4-13-23)22-20(24)17-10-8-16(9-11-17)14-26-2/h5-11H,3-4,12-14H2,1-2H3,(H,22,24).
What are the key properties of 4-(methoxymethyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
4-(methoxymethyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 47035979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).