N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide

C21H24N2O2 — CID 7255054

IUPACN-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
SMILESCc1ccc(N2C[C@H](NC(=O)CCCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C21H24N2O2/c1-16-10-12-19(13-11-16)23-15-18(14-21(23)25)22-20(24)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-13,18H,5,8-9,14-15H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyFVGHESXXDLTXKT-GOSISDBHSA-N
MW336.44 g/mol
LogP3.24
Rot. Bonds6

About N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide

N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide (PubChem CID 7255054) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
PubChem CID7255054
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
SMILESCc1ccc(N2C[C@H](NC(=O)CCCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C21H24N2O2/c1-16-10-12-19(13-11-16)23-15-18(14-21(23)25)22-20(24)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-13,18H,5,8-9,14-15H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyFVGHESXXDLTXKT-GOSISDBHSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 7563275
4-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]butanamide
CID 7547526
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 7255110
3-(4-methoxyphenyl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7255066
2-(3-methylphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254986
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 95985193
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide
CID 7546570
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971002
methyl 4-oxo-4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]butanoate
CID 110736807
benzyl-methyl-[2-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]azanium
CID 7215051
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 43971301
3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 125157518

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide?
The IUPAC name of N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide (CID 7255054) is N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide is Cc1ccc(N2C[C@H](NC(=O)CCCc3ccccc3)CC2=O)cc1.
What is the InChIKey of N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide?
The InChIKey is FVGHESXXDLTXKT-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16-10-12-19(13-11-16)23-15-18(14-21(23)25)22-20(24)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-13,18H,5,8-9,14-15H2,1H3,(H,22,24)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide?
N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide has a molecular weight of 336.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 7255054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).