benzyl 2-[(4-tert-butylphenyl)carbamoyl]pyrrolidine-1-carboxylate

C23H28N2O3 — CID 91182280

IUPACbenzyl 2-[(4-tert-butylphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)c1ccc(NC(=O)C2CCCN2C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C23H28N2O3/c1-23(2,3)18-11-13-19(14-12-18)24-21(26)20-10-7-15-25(20)22(27)28-16-17-8-5-4-6-9-17/h4-6,8-9,11-14,20H,7,10,15-16H2,1-3H3,(H,24,26)
InChIKeyZHUYNTUIZOUWKC-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.72
Rot. Bonds4

About benzyl 2-[(4-tert-butylphenyl)carbamoyl]pyrrolidine-1-carboxylate

benzyl 2-[(4-tert-butylphenyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 91182280) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is benzyl 2-[(4-tert-butylphenyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[(4-tert-butylphenyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID91182280
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Namebenzyl 2-[(4-tert-butylphenyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)c1ccc(NC(=O)C2CCCN2C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C23H28N2O3/c1-23(2,3)18-11-13-19(14-12-18)24-21(26)20-10-7-15-25(20)22(27)28-16-17-8-5-4-6-9-17/h4-6,8-9,11-14,20H,7,10,15-16H2,1-3H3,(H,24,26)
InChIKeyZHUYNTUIZOUWKC-UHFFFAOYSA-N
XLogP4.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-[(4-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 84577175
benzyl 2-[(4-iodophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 46502069
benzyl 2-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3127517
benzyl (2R)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 6958654
benzyl (2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 10109941
benzyl 2-[[4-[(2,6-dichlorophenyl)carbamoyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 69023514
benzyl (2S)-2-[[4-[3-[4-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]phenyl]-1H-pyrazol-5-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 58533215
benzyl (2R)-2-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 24739662
benzyl 2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 5194558
(2R)-1-benzoyl-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 25473012
benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 13118734
benzyl (2S)-2-[[4-(2,5-dimethoxyphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 23582415

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(4-tert-butylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-[(4-tert-butylphenyl)carbamoyl]pyrrolidine-1-carboxylate (CID 91182280) is benzyl 2-[(4-tert-butylphenyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[(4-tert-butylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-[(4-tert-butylphenyl)carbamoyl]pyrrolidine-1-carboxylate is CC(C)(C)c1ccc(NC(=O)C2CCCN2C(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl 2-[(4-tert-butylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is ZHUYNTUIZOUWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-23(2,3)18-11-13-19(14-12-18)24-21(26)20-10-7-15-25(20)22(27)28-16-17-8-5-4-6-9-17/h4-6,8-9,11-14,20H,7,10,15-16H2,1-3H3,(H,24,26).
What are the key properties of benzyl 2-[(4-tert-butylphenyl)carbamoyl]pyrrolidine-1-carboxylate?
benzyl 2-[(4-tert-butylphenyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 380.49 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(4-tert-butylphenyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 91182280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).