N-[(5-oxopyrrolidin-2-yl)methyl]-1-(3-phenylpropyl)-N-propan-2-yltriazole-4-carboxamide

C20H27N5O2 — CID 45183420

IUPACN-[(5-oxopyrrolidin-2-yl)methyl]-1-(3-phenylpropyl)-N-propan-2-yltriazole-4-carboxamide
SMILESCC(C)N(CC1CCC(=O)N1)C(=O)c1cn(CCCc2ccccc2)nn1
InChIInChI=1S/C20H27N5O2/c1-15(2)25(13-17-10-11-19(26)21-17)20(27)18-14-24(23-22-18)12-6-9-16-7-4-3-5-8-16/h3-5,7-8,14-15,17H,6,9-13H2,1-2H3,(H,21,26)
InChIKeySUPXCARSTDJMKX-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.04
Rot. Bonds8

About N-[(5-oxopyrrolidin-2-yl)methyl]-1-(3-phenylpropyl)-N-propan-2-yltriazole-4-carboxamide

N-[(5-oxopyrrolidin-2-yl)methyl]-1-(3-phenylpropyl)-N-propan-2-yltriazole-4-carboxamide (PubChem CID 45183420) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[(5-oxopyrrolidin-2-yl)methyl]-1-(3-phenylpropyl)-N-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-oxopyrrolidin-2-yl)methyl]-1-(3-phenylpropyl)-N-propan-2-yltriazole-4-carboxamide
PubChem CID45183420
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[(5-oxopyrrolidin-2-yl)methyl]-1-(3-phenylpropyl)-N-propan-2-yltriazole-4-carboxamide
SMILESCC(C)N(CC1CCC(=O)N1)C(=O)c1cn(CCCc2ccccc2)nn1
InChIInChI=1S/C20H27N5O2/c1-15(2)25(13-17-10-11-19(26)21-17)20(27)18-14-24(23-22-18)12-6-9-16-7-4-3-5-8-16/h3-5,7-8,14-15,17H,6,9-13H2,1-2H3,(H,21,26)
InChIKeySUPXCARSTDJMKX-UHFFFAOYSA-N
XLogP2.04
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-oxopyrrolidin-2-yl)methyl]-1-(3-phenylpropyl)-N-propan-2-yltriazole-4-carboxamide?
The IUPAC name of N-[(5-oxopyrrolidin-2-yl)methyl]-1-(3-phenylpropyl)-N-propan-2-yltriazole-4-carboxamide (CID 45183420) is N-[(5-oxopyrrolidin-2-yl)methyl]-1-(3-phenylpropyl)-N-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for N-[(5-oxopyrrolidin-2-yl)methyl]-1-(3-phenylpropyl)-N-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for N-[(5-oxopyrrolidin-2-yl)methyl]-1-(3-phenylpropyl)-N-propan-2-yltriazole-4-carboxamide is CC(C)N(CC1CCC(=O)N1)C(=O)c1cn(CCCc2ccccc2)nn1.
What is the InChIKey of N-[(5-oxopyrrolidin-2-yl)methyl]-1-(3-phenylpropyl)-N-propan-2-yltriazole-4-carboxamide?
The InChIKey is SUPXCARSTDJMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15(2)25(13-17-10-11-19(26)21-17)20(27)18-14-24(23-22-18)12-6-9-16-7-4-3-5-8-16/h3-5,7-8,14-15,17H,6,9-13H2,1-2H3,(H,21,26).
What are the key properties of N-[(5-oxopyrrolidin-2-yl)methyl]-1-(3-phenylpropyl)-N-propan-2-yltriazole-4-carboxamide?
N-[(5-oxopyrrolidin-2-yl)methyl]-1-(3-phenylpropyl)-N-propan-2-yltriazole-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxopyrrolidin-2-yl)methyl]-1-(3-phenylpropyl)-N-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 45183420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).