N-[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide

C27H30F3N3O5 — CID 77224948

IUPACN-[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1cccc(C(F)(F)F)c1CN1C(=O)CCC1C(=O)NC(Cc1ccccc1)C(O)C(=O)NC1CC1
InChIInChI=1S/C27H30F3N3O5/c1-38-22-9-5-8-19(27(28,29)30)18(22)15-33-21(12-13-23(33)34)25(36)32-20(14-16-6-3-2-4-7-16)24(35)26(37)31-17-10-11-17/h2-9,17,20-21,24,35H,10-15H2,1H3,(H,31,37)(H,32,36)
InChIKeyIQZBMITUXGBHDW-UHFFFAOYSA-N
MW533.55 g/mol
LogP2.57
Rot. Bonds10

About N-[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide

N-[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 77224948) has the molecular formula C27H30F3N3O5 and a molecular weight of 533.55 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID77224948
Molecular FormulaC27H30F3N3O5
Molecular Weight533.55 g/mol
Exact Mass533.21
IUPAC NameN-[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCOc1cccc(C(F)(F)F)c1CN1C(=O)CCC1C(=O)NC(Cc1ccccc1)C(O)C(=O)NC1CC1
InChIInChI=1S/C27H30F3N3O5/c1-38-22-9-5-8-19(27(28,29)30)18(22)15-33-21(12-13-23(33)34)25(36)32-20(14-16-6-3-2-4-7-16)24(35)26(37)31-17-10-11-17/h2-9,17,20-21,24,35H,10-15H2,1H3,(H,31,37)(H,32,36)
InChIKeyIQZBMITUXGBHDW-UHFFFAOYSA-N
XLogP2.57
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.55
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[[(2R)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-2-hydroxy-4-phenylbutanoate
CID 66644659
ethyl 3-[[(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-hydroxy-4-phenylbutanoate
CID 67095002
1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110421891
(2S)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 66644849
(2S)-2-[[(2R)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
CID 12043818
4-[(2S)-2-[[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-3-methoxy-3-oxopropyl]benzoic acid
CID 102022444
1-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 110427077
(2S)-N-[3,4-dioxo-1-phenyl-4-(3-pyridin-2-ylpropylamino)butan-2-yl]-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 66644578
1-benzyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxamide
CID 110625068
(2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 7101898
1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide
CID 110387564
2-amino-N-[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-methylbutanamide;hydrochloride
CID 146222527

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide (CID 77224948) is N-[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide is COc1cccc(C(F)(F)F)c1CN1C(=O)CCC1C(=O)NC(Cc1ccccc1)C(O)C(=O)NC1CC1.
What is the InChIKey of N-[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is IQZBMITUXGBHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N3O5/c1-38-22-9-5-8-19(27(28,29)30)18(22)15-33-21(12-13-23(33)34)25(36)32-20(14-16-6-3-2-4-7-16)24(35)26(37)31-17-10-11-17/h2-9,17,20-21,24,35H,10-15H2,1H3,(H,31,37)(H,32,36).
What are the key properties of N-[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide?
N-[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 533.55 g/mol, XLogP of 2.57, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 77224948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).