tert-butyl N-[3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoyl]phenyl]carbamate

C24H29N3O4 — CID 47043413

IUPACtert-butyl N-[3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C(=O)NC(CN2CCCC2=O)c2ccccc2)c1
InChIInChI=1S/C24H29N3O4/c1-24(2,3)31-23(30)25-19-12-7-11-18(15-19)22(29)26-20(17-9-5-4-6-10-17)16-27-14-8-13-21(27)28/h4-7,9-12,15,20H,8,13-14,16H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyYKFHRXIFWUHYHE-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.13
Rot. Bonds6

About tert-butyl N-[3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoyl]phenyl]carbamate

tert-butyl N-[3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoyl]phenyl]carbamate (PubChem CID 47043413) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is tert-butyl N-[3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoyl]phenyl]carbamate
PubChem CID47043413
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Nametert-butyl N-[3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C(=O)NC(CN2CCCC2=O)c2ccccc2)c1
InChIInChI=1S/C24H29N3O4/c1-24(2,3)31-23(30)25-19-12-7-11-18(15-19)22(29)26-20(17-9-5-4-6-10-17)16-27-14-8-13-21(27)28/h4-7,9-12,15,20H,8,13-14,16H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyYKFHRXIFWUHYHE-UHFFFAOYSA-N
XLogP4.13
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide
CID 94198349
1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
CID 94029267
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51954274
tert-butyl N-[3-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]phenyl]carbamate
CID 9150397
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
CID 47043433
1,2-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzimidazole-5-carboxamide
CID 95139049
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide
CID 94198526
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-3-carboxamide
CID 47043425
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide
CID 47043426
3-(2,2-dimethylpropanoylamino)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 134050340
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9150722
N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(propylsulfonylamino)benzamide
CID 55714634

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoyl]phenyl]carbamate (CID 47043413) is tert-butyl N-[3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(C(=O)NC(CN2CCCC2=O)c2ccccc2)c1.
What is the InChIKey of tert-butyl N-[3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoyl]phenyl]carbamate?
The InChIKey is YKFHRXIFWUHYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-24(2,3)31-23(30)25-19-12-7-11-18(15-19)22(29)26-20(17-9-5-4-6-10-17)16-27-14-8-13-21(27)28/h4-7,9-12,15,20H,8,13-14,16H2,1-3H3,(H,25,30)(H,26,29).
What are the key properties of tert-butyl N-[3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoyl]phenyl]carbamate?
tert-butyl N-[3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoyl]phenyl]carbamate has a molecular weight of 423.51 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 47043413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).