N-(cyclopropylmethyl)-2-[(3R)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C28H32N2O4 — CID 26349089

IUPACN-(cyclopropylmethyl)-2-[(3R)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCN1C(=O)C[C@](CC(=O)N(CC2CC2)C[C@H]2CCCO2)(c2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C28H32N2O4/c1-29-25(31)16-28(27(29)33,23-13-11-22(12-14-23)21-6-3-2-4-7-21)17-26(32)30(18-20-9-10-20)19-24-8-5-15-34-24/h2-4,6-7,11-14,20,24H,5,8-10,15-19H2,1H3/t24-,28+/m1/s1
InChIKeyICNBDPGZBDYJIF-YWEHKCAJSA-N
MW460.57 g/mol
LogP3.79
Rot. Bonds8

About N-(cyclopropylmethyl)-2-[(3R)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

N-(cyclopropylmethyl)-2-[(3R)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 26349089) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(3R)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(3R)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID26349089
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC NameN-(cyclopropylmethyl)-2-[(3R)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCN1C(=O)C[C@](CC(=O)N(CC2CC2)C[C@H]2CCCO2)(c2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C28H32N2O4/c1-29-25(31)16-28(27(29)33,23-13-11-22(12-14-23)21-6-3-2-4-7-21)17-26(32)30(18-20-9-10-20)19-24-8-5-15-34-24/h2-4,6-7,11-14,20,24H,5,8-10,15-19H2,1H3/t24-,28+/m1/s1
InChIKeyICNBDPGZBDYJIF-YWEHKCAJSA-N
XLogP3.79
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(oxan-2-ylmethyl)acetamide
CID 45221118
N-(cyclopropylmethyl)-2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 26277994
N-methyl-2-[(3S)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[(3S)-oxolan-3-yl]acetamide
CID 42436101
N-(cyclobutylmethyl)-2-[(3S)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42166765
N-(cyclobutylmethyl)-2-[(3R)-1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42213749
N-(cyclobutylmethyl)-2-[1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 45196249
2-[2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)-N-propylacetamide
CID 45170624
2-[(3S)-2,5-dioxo-3-phenyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-propylacetamide
CID 42320128
2-[(3R)-1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 42406114
N,N-diethyl-1-[2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide
CID 45202246
2-[(3R)-2,5-dioxo-3-phenyl-1-(3-pyridin-3-yloxypropyl)pyrrolidin-3-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 42485318
ethyl 4-[2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]acetyl]piperazine-1-carboxylate
CID 45239394

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(3R)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(3R)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 26349089) is N-(cyclopropylmethyl)-2-[(3R)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(3R)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(3R)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is CN1C(=O)C[C@](CC(=O)N(CC2CC2)C[C@H]2CCCO2)(c2ccc(-c3ccccc3)cc2)C1=O.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(3R)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is ICNBDPGZBDYJIF-YWEHKCAJSA-N. The full InChI is InChI=1S/C28H32N2O4/c1-29-25(31)16-28(27(29)33,23-13-11-22(12-14-23)21-6-3-2-4-7-21)17-26(32)30(18-20-9-10-20)19-24-8-5-15-34-24/h2-4,6-7,11-14,20,24H,5,8-10,15-19H2,1H3/t24-,28+/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-2-[(3R)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
N-(cyclopropylmethyl)-2-[(3R)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 460.57 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(3R)-1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 26349089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).