N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide

C25H30N4O3 — CID 86953047

IUPACN-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
SMILESCC(c1ccccc1)N1CC(C(=O)Nc2ccccc2CN2CCCC2C(N)=O)CC1=O
InChIInChI=1S/C25H30N4O3/c1-17(18-8-3-2-4-9-18)29-16-20(14-23(29)30)25(32)27-21-11-6-5-10-19(21)15-28-13-7-12-22(28)24(26)31/h2-6,8-11,17,20,22H,7,12-16H2,1H3,(H2,26,31)(H,27,32)
InChIKeyMFPPWGBTKPJSML-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.68
Rot. Bonds7

About N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide

N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 86953047) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID86953047
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
SMILESCC(c1ccccc1)N1CC(C(=O)Nc2ccccc2CN2CCCC2C(N)=O)CC1=O
InChIInChI=1S/C25H30N4O3/c1-17(18-8-3-2-4-9-18)29-16-20(14-23(29)30)25(32)27-21-11-6-5-10-19(21)15-28-13-7-12-22(28)24(26)31/h2-6,8-11,17,20,22H,7,12-16H2,1H3,(H2,26,31)(H,27,32)
InChIKeyMFPPWGBTKPJSML-UHFFFAOYSA-N
XLogP2.68
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(2-ethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 8570864
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CID 42916089
(3R)-N-[2-(2-ethylanilino)-2-oxoethyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 40938053
N-(2-methoxy-3-pyridinyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 53499094
N-[2-(2-methylpropanoylamino)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540941
ethyl [4-[[2-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]phenyl]methylcarbamoyl]phenyl] carbonate
CID 108931586
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CID 9004802
(3S)-1-[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 9266561
(3S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 9266562
N-(1-amino-2-methylpropan-2-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 119521311
(2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52526979
1-[[2-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide (CID 86953047) is N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide is CC(c1ccccc1)N1CC(C(=O)Nc2ccccc2CN2CCCC2C(N)=O)CC1=O.
What is the InChIKey of N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is MFPPWGBTKPJSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-17(18-8-3-2-4-9-18)29-16-20(14-23(29)30)25(32)27-21-11-6-5-10-19(21)15-28-13-7-12-22(28)24(26)31/h2-6,8-11,17,20,22H,7,12-16H2,1H3,(H2,26,31)(H,27,32).
What are the key properties of N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide?
N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 86953047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).