N-methyl-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]acetamide

C20H26N4O2 — CID 97436407

IUPACN-methyl-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]acetamide
SMILESCC(C)n1cc(CN(C)C(=O)CN2C[C@H](c3ccccc3)CC2=O)cn1
InChIInChI=1S/C20H26N4O2/c1-15(2)24-12-16(10-21-24)11-22(3)20(26)14-23-13-18(9-19(23)25)17-7-5-4-6-8-17/h4-8,10,12,15,18H,9,11,13-14H2,1-3H3/t18-/m1/s1
InChIKeyQVSGEBDQOSQRTN-GOSISDBHSA-N
MW354.45 g/mol
LogP2.44
Rot. Bonds6

About N-methyl-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]acetamide

N-methyl-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]acetamide (PubChem CID 97436407) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-methyl-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]acetamide
PubChem CID97436407
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-methyl-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]acetamide
SMILESCC(C)n1cc(CN(C)C(=O)CN2C[C@H](c3ccccc3)CC2=O)cn1
InChIInChI=1S/C20H26N4O2/c1-15(2)24-12-16(10-21-24)11-22(3)20(26)14-23-13-18(9-19(23)25)17-7-5-4-6-8-17/h4-8,10,12,15,18H,9,11,13-14H2,1-3H3/t18-/m1/s1
InChIKeyQVSGEBDQOSQRTN-GOSISDBHSA-N
XLogP2.44
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-N-methyl-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 97272526
2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 781884
2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide;hydrochloride
CID 170974229
2-chloro-N-[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]acetamide
CID 167840710
N,N-bis(1,3-oxazol-4-ylmethyl)-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 97272771
N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 135089392
(2S)-N-benzyl-4-methyl-2-[[2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]amino]pentanamide
CID 7073653
1-[(4-methylphenyl)methyl]-4-phenylpyrrolidin-2-one
CID 155799488
(2S,3R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134709715
(4S)-1-[3-(dimethylamino)propyl]-4-phenylpyrrolidin-2-one
CID 746436
2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methylacetamide
CID 72925762
4-phenyl-1-propylpyrrolidin-2-one
CID 13362249

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]acetamide (CID 97436407) is N-methyl-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]acetamide is CC(C)n1cc(CN(C)C(=O)CN2C[C@H](c3ccccc3)CC2=O)cn1.
What is the InChIKey of N-methyl-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]acetamide?
The InChIKey is QVSGEBDQOSQRTN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15(2)24-12-16(10-21-24)11-22(3)20(26)14-23-13-18(9-19(23)25)17-7-5-4-6-8-17/h4-8,10,12,15,18H,9,11,13-14H2,1-3H3/t18-/m1/s1.
What are the key properties of N-methyl-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]acetamide?
N-methyl-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 97436407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).