4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide

C20H24N2O2 — CID 35613985

IUPAC4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESCOCc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-24-15-17-4-8-18(9-5-17)20(23)21-14-16-6-10-19(11-7-16)22-12-2-3-13-22/h4-11H,2-3,12-15H2,1H3,(H,21,23)
InChIKeyFCJAAYBTKMRTLJ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.36
Rot. Bonds6

About 4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide

4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide (PubChem CID 35613985) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
PubChem CID35613985
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESCOCc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-24-15-17-4-8-18(9-5-17)20(23)21-14-16-6-10-19(11-7-16)22-12-2-3-13-22/h4-11H,2-3,12-15H2,1H3,(H,21,23)
InChIKeyFCJAAYBTKMRTLJ-UHFFFAOYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[(R)-methylsulfinyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35616767
4-[(S)-methylsulfinyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35616770
N-[[4-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 46448239
N-[(4-pyrrolidin-1-ylphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 35620277
N-ethyl-4-[[[4-(methoxymethyl)benzoyl]amino]methyl]benzamide
CID 86990014
N-[(4-piperidin-1-ylphenyl)methyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92682536
N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 110295113
N-[(4-piperidin-1-ylphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704007
4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55657177
4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 167851793
4-ethoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 100576325
4-chloro-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56685918

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of 4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide (CID 35613985) is 4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide is COCc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of 4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide?
The InChIKey is FCJAAYBTKMRTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-24-15-17-4-8-18(9-5-17)20(23)21-14-16-6-10-19(11-7-16)22-12-2-3-13-22/h4-11H,2-3,12-15H2,1H3,(H,21,23).
What are the key properties of 4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide?
4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide has a molecular weight of 324.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 35613985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).