[2-oxo-2-[2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]ethyl]carbamic acid

C24H29N3O4 — CID 175570339

IUPAC[2-oxo-2-[2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]ethyl]carbamic acid
SMILESCC(C)c1ccc(C(NC(=O)C2CCCN2C(=O)CNC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C24H29N3O4/c1-16(2)17-10-12-19(13-11-17)22(18-7-4-3-5-8-18)26-23(29)20-9-6-14-27(20)21(28)15-25-24(30)31/h3-5,7-8,10-13,16,20,22,25H,6,9,14-15H2,1-2H3,(H,26,29)(H,30,31)
InChIKeyFDPIGUGDSGQZFI-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.27
Rot. Bonds7

About [2-oxo-2-[2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]ethyl]carbamic acid

[2-oxo-2-[2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]ethyl]carbamic acid (PubChem CID 175570339) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is [2-oxo-2-[2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]ethyl]carbamic acid.

Molecular Properties

Compound Name[2-oxo-2-[2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]ethyl]carbamic acid
PubChem CID175570339
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name[2-oxo-2-[2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]ethyl]carbamic acid
SMILESCC(C)c1ccc(C(NC(=O)C2CCCN2C(=O)CNC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C24H29N3O4/c1-16(2)17-10-12-19(13-11-17)22(18-7-4-3-5-8-18)26-23(29)20-9-6-14-27(20)21(28)15-25-24(30)31/h3-5,7-8,10-13,16,20,22,25H,6,9,14-15H2,1-2H3,(H,26,29)(H,30,31)
InChIKeyFDPIGUGDSGQZFI-UHFFFAOYSA-N
XLogP3.27
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-2-carboxamide
CID 78798467
1-(2-aminopropanoyl)-N-benzhydrylpyrrolidine-2-carboxamide
CID 166861237
tert-butyl 4-[[2-[(2S)-2-[[(S)-(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]piperazine-1-carboxylate
CID 170405071
cyclohexane;(2S)-1-[2-[2-(methylamino)propanoylamino]acetyl]-N-(4-methyl-3-oxo-1,1-diphenylpentan-2-yl)pyrrolidine-2-carboxamide
CID 168945864
N-benzhydryl-1-[2-[2-(chloroamino)propanoylamino]-2-phenylacetyl]pyrrolidine-2-carboxamide
CID 89078519
(2S)-2-[[(2R)-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 129395985
(2S)-N-benzhydryl-1-[(2S)-3-hydroxy-2-[[(2S)-2-(methylamino)propanoyl]amino]propanoyl]pyrrolidine-2-carboxamide
CID 122192538
(2S)-N-[(S)-(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide
CID 170413362
1-acetyl-5-methyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165140067
2-ethyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 171097114
(2S)-1-[2-[5-(diethylamino)triazol-1-yl]acetyl]-N-[(S)-phenyl-(5-propan-2-yl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 165139424
(2S)-1-acetyl-N-[2-[(2S)-2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 10127616

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]ethyl]carbamic acid?
The IUPAC name of [2-oxo-2-[2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]ethyl]carbamic acid (CID 175570339) is [2-oxo-2-[2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]ethyl]carbamic acid.
What is the SMILES notation for [2-oxo-2-[2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]ethyl]carbamic acid?
The canonical SMILES for [2-oxo-2-[2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]ethyl]carbamic acid is CC(C)c1ccc(C(NC(=O)C2CCCN2C(=O)CNC(=O)O)c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-[2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]ethyl]carbamic acid?
The InChIKey is FDPIGUGDSGQZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-16(2)17-10-12-19(13-11-17)22(18-7-4-3-5-8-18)26-23(29)20-9-6-14-27(20)21(28)15-25-24(30)31/h3-5,7-8,10-13,16,20,22,25H,6,9,14-15H2,1-2H3,(H,26,29)(H,30,31).
What are the key properties of [2-oxo-2-[2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]ethyl]carbamic acid?
[2-oxo-2-[2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]ethyl]carbamic acid has a molecular weight of 423.51 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-[[phenyl-(4-propan-2-ylphenyl)methyl]carbamoyl]pyrrolidin-1-yl]ethyl]carbamic acid is sourced from PubChem (CID 175570339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).