N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide

C22H23N5O2 — CID 99617884

IUPACN-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cnc(-c2ccccc2)n1)N[C@H](CN1CCCC1=O)c1ccccc1
InChIInChI=1S/C22H23N5O2/c28-20(15-27-16-23-22(25-27)18-10-5-2-6-11-18)24-19(17-8-3-1-4-9-17)14-26-13-7-12-21(26)29/h1-6,8-11,16,19H,7,12-15H2,(H,24,28)/t19-/m1/s1
InChIKeyCNVALYWOVMSKIJ-LJQANCHMSA-N
MW389.46 g/mol
LogP2.42
Rot. Bonds7

About N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide

N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide (PubChem CID 99617884) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide
PubChem CID99617884
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cnc(-c2ccccc2)n1)N[C@H](CN1CCCC1=O)c1ccccc1
InChIInChI=1S/C22H23N5O2/c28-20(15-27-16-23-22(25-27)18-10-5-2-6-11-18)24-19(17-8-3-1-4-9-17)14-26-13-7-12-21(26)29/h1-6,8-11,16,19H,7,12-15H2,(H,24,28)/t19-/m1/s1
InChIKeyCNVALYWOVMSKIJ-LJQANCHMSA-N
XLogP2.42
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide
CID 126770678
2-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide;hydrochloride
CID 119287067
N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 94198507
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-thiophen-2-ylacetamide
CID 51082883
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide
CID 94198526
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
CID 47043433
2-methyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrimidine-4-carboxamide
CID 94821155
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide
CID 139000569
2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide
CID 94799256
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-3-carboxamide
CID 47043425
3-(2-oxopyrrolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)propanamide
CID 131919618
2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]acetamide
CID 61102795

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide (CID 99617884) is N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide is O=C(Cn1cnc(-c2ccccc2)n1)N[C@H](CN1CCCC1=O)c1ccccc1.
What is the InChIKey of N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide?
The InChIKey is CNVALYWOVMSKIJ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-20(15-27-16-23-22(25-27)18-10-5-2-6-11-18)24-19(17-8-3-1-4-9-17)14-26-13-7-12-21(26)29/h1-6,8-11,16,19H,7,12-15H2,(H,24,28)/t19-/m1/s1.
What are the key properties of N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide?
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide has a molecular weight of 389.46 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 99617884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).