N-[4-[2-oxo-2-[(3S)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide

C22H23N5O2 — CID 99986701

IUPACN-[4-[2-oxo-2-[(3S)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)cc1
InChIInChI=1S/C22H23N5O2/c1-16(28)23-19-9-7-17(8-10-19)13-22(29)26-12-11-20(14-26)27-15-21(24-25-27)18-5-3-2-4-6-18/h2-10,15,20H,11-14H2,1H3,(H,23,28)/t20-/m0/s1
InChIKeyORGYBCYGTYTPAD-FQEVSTJZSA-N
MW389.46 g/mol
LogP2.92
Rot. Bonds5

About N-[4-[2-oxo-2-[(3S)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide

N-[4-[2-oxo-2-[(3S)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide (PubChem CID 99986701) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[(3S)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-[(3S)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide
PubChem CID99986701
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[4-[2-oxo-2-[(3S)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)cc1
InChIInChI=1S/C22H23N5O2/c1-16(28)23-19-9-7-17(8-10-19)13-22(29)26-12-11-20(14-26)27-15-21(24-25-27)18-5-3-2-4-6-18/h2-10,15,20H,11-14H2,1H3,(H,23,28)/t20-/m0/s1
InChIKeyORGYBCYGTYTPAD-FQEVSTJZSA-N
XLogP2.92
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[(3S)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-oxo-2-[(3S)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide (CID 99986701) is N-[4-[2-oxo-2-[(3S)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-oxo-2-[(3S)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-oxo-2-[(3S)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide is CC(=O)Nc1ccc(CC(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)cc1.
What is the InChIKey of N-[4-[2-oxo-2-[(3S)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide?
The InChIKey is ORGYBCYGTYTPAD-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-16(28)23-19-9-7-17(8-10-19)13-22(29)26-12-11-20(14-26)27-15-21(24-25-27)18-5-3-2-4-6-18/h2-10,15,20H,11-14H2,1H3,(H,23,28)/t20-/m0/s1.
What are the key properties of N-[4-[2-oxo-2-[(3S)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide?
N-[4-[2-oxo-2-[(3S)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide has a molecular weight of 389.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-[(3S)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethyl]phenyl]acetamide is sourced from PubChem (CID 99986701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).