tert-butyl 2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]-2-methylpyrrolidine-1-carboxylate

C24H37N3O5 — CID 71912101

IUPACtert-butyl 2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]-2-methylpyrrolidine-1-carboxylate
SMILESCOc1ccc(C(CNC(=O)C2(C)CCCN2C(=O)OC(C)(C)C)N2CCOCC2)cc1
InChIInChI=1S/C24H37N3O5/c1-23(2,3)32-22(29)27-12-6-11-24(27,4)21(28)25-17-20(26-13-15-31-16-14-26)18-7-9-19(30-5)10-8-18/h7-10,20H,6,11-17H2,1-5H3,(H,25,28)
InChIKeyQIYOYRQKOMCVEB-UHFFFAOYSA-N
MW447.58 g/mol
LogP2.97
Rot. Bonds6

About tert-butyl 2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]-2-methylpyrrolidine-1-carboxylate

tert-butyl 2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]-2-methylpyrrolidine-1-carboxylate (PubChem CID 71912101) has the molecular formula C24H37N3O5 and a molecular weight of 447.58 g/mol. Its IUPAC name is tert-butyl 2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]-2-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]-2-methylpyrrolidine-1-carboxylate
PubChem CID71912101
Molecular FormulaC24H37N3O5
Molecular Weight447.58 g/mol
Exact Mass447.27
IUPAC Nametert-butyl 2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]-2-methylpyrrolidine-1-carboxylate
SMILESCOc1ccc(C(CNC(=O)C2(C)CCCN2C(=O)OC(C)(C)C)N2CCOCC2)cc1
InChIInChI=1S/C24H37N3O5/c1-23(2,3)32-22(29)27-12-6-11-24(27,4)21(28)25-17-20(26-13-15-31-16-14-26)18-7-9-19(30-5)10-8-18/h7-10,20H,6,11-17H2,1-5H3,(H,25,28)
InChIKeyQIYOYRQKOMCVEB-UHFFFAOYSA-N
XLogP2.97
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
2-amino-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide;dihydrochloride
CID 119829745
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 16811484
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 30834692
2-(4-aminophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119829747
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]cyclopentane-1-carboxamide
CID 55526551
2-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 18161625
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112793405
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 44892270

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]-2-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]-2-methylpyrrolidine-1-carboxylate (CID 71912101) is tert-butyl 2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]-2-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]-2-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]-2-methylpyrrolidine-1-carboxylate is COc1ccc(C(CNC(=O)C2(C)CCCN2C(=O)OC(C)(C)C)N2CCOCC2)cc1.
What is the InChIKey of tert-butyl 2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]-2-methylpyrrolidine-1-carboxylate?
The InChIKey is QIYOYRQKOMCVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O5/c1-23(2,3)32-22(29)27-12-6-11-24(27,4)21(28)25-17-20(26-13-15-31-16-14-26)18-7-9-19(30-5)10-8-18/h7-10,20H,6,11-17H2,1-5H3,(H,25,28).
What are the key properties of tert-butyl 2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]-2-methylpyrrolidine-1-carboxylate?
tert-butyl 2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]-2-methylpyrrolidine-1-carboxylate has a molecular weight of 447.58 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]-2-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 71912101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).