1-[2-[4-(methoxymethyl)triazol-1-yl]acetyl]-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide

C24H27N5O3 — CID 123974612

IUPAC1-[2-[4-(methoxymethyl)triazol-1-yl]acetyl]-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOCc1cn(CC(=O)N2CCCC2C(=O)NCc2ccc(-c3ccccc3)cc2)nn1
InChIInChI=1S/C24H27N5O3/c1-32-17-21-15-28(27-26-21)16-23(30)29-13-5-8-22(29)24(31)25-14-18-9-11-20(12-10-18)19-6-3-2-4-7-19/h2-4,6-7,9-12,15,22H,5,8,13-14,16-17H2,1H3,(H,25,31)
InChIKeyDGBQQQVQXMLEQJ-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.40
Rot. Bonds8

About 1-[2-[4-(methoxymethyl)triazol-1-yl]acetyl]-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide

1-[2-[4-(methoxymethyl)triazol-1-yl]acetyl]-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 123974612) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-[2-[4-(methoxymethyl)triazol-1-yl]acetyl]-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(methoxymethyl)triazol-1-yl]acetyl]-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID123974612
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name1-[2-[4-(methoxymethyl)triazol-1-yl]acetyl]-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOCc1cn(CC(=O)N2CCCC2C(=O)NCc2ccc(-c3ccccc3)cc2)nn1
InChIInChI=1S/C24H27N5O3/c1-32-17-21-15-28(27-26-21)16-23(30)29-13-5-8-22(29)24(31)25-14-18-9-11-20(12-10-18)19-6-3-2-4-7-19/h2-4,6-7,9-12,15,22H,5,8,13-14,16-17H2,1H3,(H,25,31)
InChIKeyDGBQQQVQXMLEQJ-UHFFFAOYSA-N
XLogP2.40
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(methoxymethyl)triazol-1-yl]acetyl]-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[4-(methoxymethyl)triazol-1-yl]acetyl]-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide (CID 123974612) is 1-[2-[4-(methoxymethyl)triazol-1-yl]acetyl]-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[4-(methoxymethyl)triazol-1-yl]acetyl]-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[4-(methoxymethyl)triazol-1-yl]acetyl]-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide is COCc1cn(CC(=O)N2CCCC2C(=O)NCc2ccc(-c3ccccc3)cc2)nn1.
What is the InChIKey of 1-[2-[4-(methoxymethyl)triazol-1-yl]acetyl]-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is DGBQQQVQXMLEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-32-17-21-15-28(27-26-21)16-23(30)29-13-5-8-22(29)24(31)25-14-18-9-11-20(12-10-18)19-6-3-2-4-7-19/h2-4,6-7,9-12,15,22H,5,8,13-14,16-17H2,1H3,(H,25,31).
What are the key properties of 1-[2-[4-(methoxymethyl)triazol-1-yl]acetyl]-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
1-[2-[4-(methoxymethyl)triazol-1-yl]acetyl]-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(methoxymethyl)triazol-1-yl]acetyl]-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 123974612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).