N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide

C21H26N4O2 — CID 139000569

IUPACN-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide
SMILESO=C(Cc1n[nH]c2c1CCCC2)NC(CN1CCCC1=O)c1ccccc1
InChIInChI=1S/C21H26N4O2/c26-20(13-18-16-9-4-5-10-17(16)23-24-18)22-19(15-7-2-1-3-8-15)14-25-12-6-11-21(25)27/h1-3,7-8,19H,4-6,9-14H2,(H,22,26)(H,23,24)
InChIKeyABDPKGBAEMLQFG-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.31
Rot. Bonds6

About N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide

N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide (PubChem CID 139000569) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide
PubChem CID139000569
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide
SMILESO=C(Cc1n[nH]c2c1CCCC2)NC(CN1CCCC1=O)c1ccccc1
InChIInChI=1S/C21H26N4O2/c26-20(13-18-16-9-4-5-10-17(16)23-24-18)22-19(15-7-2-1-3-8-15)14-25-12-6-11-21(25)27/h1-3,7-8,19H,4-6,9-14H2,(H,22,26)(H,23,24)
InChIKeyABDPKGBAEMLQFG-UHFFFAOYSA-N
XLogP2.31
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide;hydrochloride
CID 119287067
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-thiophen-2-ylacetamide
CID 51082883
2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide
CID 94799256
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide
CID 126770678
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide
CID 99617884
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide
CID 94198526
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51954274
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]propanamide
CID 55749749
2-(2,4-dimethylphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide
CID 55749941
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]thiophene-3-carboxamide
CID 47043425
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide
CID 47043426

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide?
The IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide (CID 139000569) is N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide.
What is the SMILES notation for N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide?
The canonical SMILES for N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide is O=C(Cc1n[nH]c2c1CCCC2)NC(CN1CCCC1=O)c1ccccc1.
What is the InChIKey of N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide?
The InChIKey is ABDPKGBAEMLQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-20(13-18-16-9-4-5-10-17(16)23-24-18)22-19(15-7-2-1-3-8-15)14-25-12-6-11-21(25)27/h1-3,7-8,19H,4-6,9-14H2,(H,22,26)(H,23,24).
What are the key properties of N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide?
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide has a molecular weight of 366.47 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetamide is sourced from PubChem (CID 139000569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).