N-butyl-2-[(3R)-1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide

C23H31FN2O3 — CID 125162818

IUPACN-butyl-2-[(3R)-1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
SMILESCCCCN(C)C(=O)C[C@]1(c2ccccc2F)CC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C23H31FN2O3/c1-3-4-14-25(2)20(27)15-23(18-12-8-9-13-19(18)24)16-21(28)26(22(23)29)17-10-6-5-7-11-17/h8-9,12-13,17H,3-7,10-11,14-16H2,1-2H3/t23-/m1/s1
InChIKeyYPRDCLIKSMJNKC-HSZRJFAPSA-N
MW402.51 g/mol
LogP3.80
Rot. Bonds7

About N-butyl-2-[(3R)-1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide

N-butyl-2-[(3R)-1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide (PubChem CID 125162818) has the molecular formula C23H31FN2O3 and a molecular weight of 402.51 g/mol. Its IUPAC name is N-butyl-2-[(3R)-1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-[(3R)-1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
PubChem CID125162818
Molecular FormulaC23H31FN2O3
Molecular Weight402.51 g/mol
Exact Mass402.23
IUPAC NameN-butyl-2-[(3R)-1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
SMILESCCCCN(C)C(=O)C[C@]1(c2ccccc2F)CC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C23H31FN2O3/c1-3-4-14-25(2)20(27)15-23(18-12-8-9-13-19(18)24)16-21(28)26(22(23)29)17-10-6-5-7-11-17/h8-9,12-13,17H,3-7,10-11,14-16H2,1-2H3/t23-/m1/s1
InChIKeyYPRDCLIKSMJNKC-HSZRJFAPSA-N
XLogP3.80
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[2-[(3R)-1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]-methylamino]acetate
CID 42164510
2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 126462518
2-[(3R)-1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methylacetamide
CID 26332977
2-[(3R)-1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 26274678
N-benzyl-2-[(3S)-1-cyclopentyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(cyclopropylmethyl)acetamide
CID 26278688
methyl 2-[[2-[1-cyclopentyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]-methylamino]acetate
CID 45181307
2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-methyl-N-(3-piperidin-1-ylpropyl)acetamide
CID 125163774
2-[3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-(cyclopropylmethyl)-N-propylacetamide
CID 45192834
N-butyl-2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
CID 45175129
2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide
CID 42189960
2-[3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 118756108
2-[(3R)-3-(2-chlorophenyl)-1-cyclopentyl-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 42500376

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(3R)-1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-butyl-2-[(3R)-1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide (CID 125162818) is N-butyl-2-[(3R)-1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-butyl-2-[(3R)-1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-butyl-2-[(3R)-1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide is CCCCN(C)C(=O)C[C@]1(c2ccccc2F)CC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of N-butyl-2-[(3R)-1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is YPRDCLIKSMJNKC-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H31FN2O3/c1-3-4-14-25(2)20(27)15-23(18-12-8-9-13-19(18)24)16-21(28)26(22(23)29)17-10-6-5-7-11-17/h8-9,12-13,17H,3-7,10-11,14-16H2,1-2H3/t23-/m1/s1.
What are the key properties of N-butyl-2-[(3R)-1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
N-butyl-2-[(3R)-1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 402.51 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(3R)-1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 125162818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).