N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide

C28H33N3O2 — CID 42863609

IUPACN-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide
SMILESCOCC(=O)N(Cc1cccnc1)CC1CN(Cc2ccccc2)CC1c1ccc(C)cc1
InChIInChI=1S/C28H33N3O2/c1-22-10-12-25(13-11-22)27-20-30(16-23-7-4-3-5-8-23)18-26(27)19-31(28(32)21-33-2)17-24-9-6-14-29-15-24/h3-15,26-27H,16-21H2,1-2H3
InChIKeyYGNOBYZTVRWHIT-UHFFFAOYSA-N
MW443.59 g/mol
LogP4.28
Rot. Bonds9

About N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide

N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 42863609) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide
PubChem CID42863609
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC NameN-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide
SMILESCOCC(=O)N(Cc1cccnc1)CC1CN(Cc2ccccc2)CC1c1ccc(C)cc1
InChIInChI=1S/C28H33N3O2/c1-22-10-12-25(13-11-22)27-20-30(16-23-7-4-3-5-8-23)18-26(27)19-31(28(32)21-33-2)17-24-9-6-14-29-15-24/h3-15,26-27H,16-21H2,1-2H3
InChIKeyYGNOBYZTVRWHIT-UHFFFAOYSA-N
XLogP4.28
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[[4-(dimethylamino)phenyl]methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 42864220
N-[[4-(4-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 42864225
N-[[1-[[4-(dimethylamino)phenyl]methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
CID 42870011
N-[[1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
CID 42847864
N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 42863585
N-[[1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
CID 42847917
N-[(3R,4S)-4-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide
CID 164638014
N-[[(3R,4R)-1-[(3-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 100897552
N-(2-methoxyethyl)-N-[[1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 42870024
(3S,4S)-1-benzyl-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 124708767
4-fluoro-N-[[4-(3-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42864009
1-[(3aS,6aS)-2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methoxyethanone
CID 97376869

Frequently Asked Questions

What is the IUPAC name of N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide (CID 42863609) is N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide is COCC(=O)N(Cc1cccnc1)CC1CN(Cc2ccccc2)CC1c1ccc(C)cc1.
What is the InChIKey of N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is YGNOBYZTVRWHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-22-10-12-25(13-11-22)27-20-30(16-23-7-4-3-5-8-23)18-26(27)19-31(28(32)21-33-2)17-24-9-6-14-29-15-24/h3-15,26-27H,16-21H2,1-2H3.
What are the key properties of N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide?
N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 443.59 g/mol, XLogP of 4.28, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-benzyl-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 42863609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).