2-cyclopentylethyl N-[2-hydroxy-3-[3-(2-oxopyrrolidin-1-yl)propyl-[(4-propan-2-ylphenyl)methyl]amino]propyl]carbamate

C28H45N3O4 — CID 11202593

IUPAC2-cyclopentylethyl N-[2-hydroxy-3-[3-(2-oxopyrrolidin-1-yl)propyl-[(4-propan-2-ylphenyl)methyl]amino]propyl]carbamate
SMILESCC(C)c1ccc(CN(CCCN2CCCC2=O)CC(O)CNC(=O)OCCC2CCCC2)cc1
InChIInChI=1S/C28H45N3O4/c1-22(2)25-12-10-24(11-13-25)20-30(15-6-17-31-16-5-9-27(31)33)21-26(32)19-29-28(34)35-18-14-23-7-3-4-8-23/h10-13,22-23,26,32H,3-9,14-21H2,1-2H3,(H,29,34)
InChIKeyFYINISUDHDCUBR-UHFFFAOYSA-N
MW487.69 g/mol
LogP4.29
Rot. Bonds14

About 2-cyclopentylethyl N-[2-hydroxy-3-[3-(2-oxopyrrolidin-1-yl)propyl-[(4-propan-2-ylphenyl)methyl]amino]propyl]carbamate

2-cyclopentylethyl N-[2-hydroxy-3-[3-(2-oxopyrrolidin-1-yl)propyl-[(4-propan-2-ylphenyl)methyl]amino]propyl]carbamate (PubChem CID 11202593) has the molecular formula C28H45N3O4 and a molecular weight of 487.69 g/mol. Its IUPAC name is 2-cyclopentylethyl N-[2-hydroxy-3-[3-(2-oxopyrrolidin-1-yl)propyl-[(4-propan-2-ylphenyl)methyl]amino]propyl]carbamate.

Molecular Properties

Compound Name2-cyclopentylethyl N-[2-hydroxy-3-[3-(2-oxopyrrolidin-1-yl)propyl-[(4-propan-2-ylphenyl)methyl]amino]propyl]carbamate
PubChem CID11202593
Molecular FormulaC28H45N3O4
Molecular Weight487.69 g/mol
Exact Mass487.34
IUPAC Name2-cyclopentylethyl N-[2-hydroxy-3-[3-(2-oxopyrrolidin-1-yl)propyl-[(4-propan-2-ylphenyl)methyl]amino]propyl]carbamate
SMILESCC(C)c1ccc(CN(CCCN2CCCC2=O)CC(O)CNC(=O)OCCC2CCCC2)cc1
InChIInChI=1S/C28H45N3O4/c1-22(2)25-12-10-24(11-13-25)20-30(15-6-17-31-16-5-9-27(31)33)21-26(32)19-29-28(34)35-18-14-23-7-3-4-8-23/h10-13,22-23,26,32H,3-9,14-21H2,1-2H3,(H,29,34)
InChIKeyFYINISUDHDCUBR-UHFFFAOYSA-N
XLogP4.29
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.69
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclopentylethyl N-[2-hydroxy-3-[3-(2-oxopyrrolidin-1-yl)propyl-[(4-propan-2-ylphenyl)methyl]amino]propyl]carbamate with MolForge

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Related Compounds

2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86911651
1-[3-[4-[[[(2S)-3-cyclohexyloxy-2-hydroxypropyl]-methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one
CID 129455458
1-[3-[4-[[(3-carbazol-9-yl-2-hydroxypropyl)-(2-methoxyethyl)amino]methyl]phenoxy]propyl]pyrrolidin-2-one
CID 132780840
1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one
CID 94689193
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 119526669
2-(dibenzylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86977003
3-(2-oxopyrrolidin-1-yl)propyl acetate
CID 71390643
1-[3-[[4-[3-(diethylamino)propoxy]phenyl]methylamino]propyl]pyrrolidin-2-one
CID 10292088
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
N-[2-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 77089396
benzyl N-[2-(2-oxopiperidin-1-yl)ethyl]carbamate
CID 110722771
3-(4-butan-2-ylphenoxy)-N,N-diethylpropan-1-amine;1-butylpyrrolidin-2-one
CID 142171747

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylethyl N-[2-hydroxy-3-[3-(2-oxopyrrolidin-1-yl)propyl-[(4-propan-2-ylphenyl)methyl]amino]propyl]carbamate?
The IUPAC name of 2-cyclopentylethyl N-[2-hydroxy-3-[3-(2-oxopyrrolidin-1-yl)propyl-[(4-propan-2-ylphenyl)methyl]amino]propyl]carbamate (CID 11202593) is 2-cyclopentylethyl N-[2-hydroxy-3-[3-(2-oxopyrrolidin-1-yl)propyl-[(4-propan-2-ylphenyl)methyl]amino]propyl]carbamate.
What is the SMILES notation for 2-cyclopentylethyl N-[2-hydroxy-3-[3-(2-oxopyrrolidin-1-yl)propyl-[(4-propan-2-ylphenyl)methyl]amino]propyl]carbamate?
The canonical SMILES for 2-cyclopentylethyl N-[2-hydroxy-3-[3-(2-oxopyrrolidin-1-yl)propyl-[(4-propan-2-ylphenyl)methyl]amino]propyl]carbamate is CC(C)c1ccc(CN(CCCN2CCCC2=O)CC(O)CNC(=O)OCCC2CCCC2)cc1.
What is the InChIKey of 2-cyclopentylethyl N-[2-hydroxy-3-[3-(2-oxopyrrolidin-1-yl)propyl-[(4-propan-2-ylphenyl)methyl]amino]propyl]carbamate?
The InChIKey is FYINISUDHDCUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H45N3O4/c1-22(2)25-12-10-24(11-13-25)20-30(15-6-17-31-16-5-9-27(31)33)21-26(32)19-29-28(34)35-18-14-23-7-3-4-8-23/h10-13,22-23,26,32H,3-9,14-21H2,1-2H3,(H,29,34).
What are the key properties of 2-cyclopentylethyl N-[2-hydroxy-3-[3-(2-oxopyrrolidin-1-yl)propyl-[(4-propan-2-ylphenyl)methyl]amino]propyl]carbamate?
2-cyclopentylethyl N-[2-hydroxy-3-[3-(2-oxopyrrolidin-1-yl)propyl-[(4-propan-2-ylphenyl)methyl]amino]propyl]carbamate has a molecular weight of 487.69 g/mol, XLogP of 4.29, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylethyl N-[2-hydroxy-3-[3-(2-oxopyrrolidin-1-yl)propyl-[(4-propan-2-ylphenyl)methyl]amino]propyl]carbamate is sourced from PubChem (CID 11202593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).