3,4-dimethyl-N-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]benzamide

C21H26N2O — CID 70790693

IUPAC3,4-dimethyl-N-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]benzamide
SMILESCc1cc(CN2CCCC2)cc(NC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C21H26N2O/c1-15-10-18(14-23-8-4-5-9-23)13-20(11-15)22-21(24)19-7-6-16(2)17(3)12-19/h6-7,10-13H,4-5,8-9,14H2,1-3H3,(H,22,24)
InChIKeyIERQYZLIVIHHRS-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.46
Rot. Bonds4

About 3,4-dimethyl-N-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]benzamide

3,4-dimethyl-N-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]benzamide (PubChem CID 70790693) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 3,4-dimethyl-N-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]benzamide
PubChem CID70790693
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name3,4-dimethyl-N-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]benzamide
SMILESCc1cc(CN2CCCC2)cc(NC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C21H26N2O/c1-15-10-18(14-23-8-4-5-9-23)13-20(11-15)22-21(24)19-7-6-16(2)17(3)12-19/h6-7,10-13H,4-5,8-9,14H2,1-3H3,(H,22,24)
InChIKeyIERQYZLIVIHHRS-UHFFFAOYSA-N
XLogP4.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 58148317
CID 58148317
CID 58148335
CID 58148335
N-(3,5-dimethylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93490429
(3,4-dimethylphenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724806
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
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CID 44530055
1-[(3,5-dimethylphenyl)methyl]pyrrolidine
CID 90278828
N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 46769268
N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide
CID 131906528
3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 17445967
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CID 60560572

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]benzamide (CID 70790693) is 3,4-dimethyl-N-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]benzamide is Cc1cc(CN2CCCC2)cc(NC(=O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of 3,4-dimethyl-N-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The InChIKey is IERQYZLIVIHHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-15-10-18(14-23-8-4-5-9-23)13-20(11-15)22-21(24)19-7-6-16(2)17(3)12-19/h6-7,10-13H,4-5,8-9,14H2,1-3H3,(H,22,24).
What are the key properties of 3,4-dimethyl-N-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
3,4-dimethyl-N-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]benzamide has a molecular weight of 322.45 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[3-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 70790693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).