N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methoxy-N-(2-phenylethyl)benzamide

C29H30N2O4 — CID 23860685

IUPACN-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methoxy-N-(2-phenylethyl)benzamide
SMILESCOc1cccc(C(=O)N(CCc2ccccc2)C2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)c1
InChIInChI=1S/C29H30N2O4/c1-20(2)22-12-14-24(15-13-22)31-27(32)19-26(29(31)34)30(17-16-21-8-5-4-6-9-21)28(33)23-10-7-11-25(18-23)35-3/h4-15,18,20,26H,16-17,19H2,1-3H3
InChIKeyNYUVUNWPNMMUHR-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.84
Rot. Bonds8

About N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methoxy-N-(2-phenylethyl)benzamide

N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methoxy-N-(2-phenylethyl)benzamide (PubChem CID 23860685) has the molecular formula C29H30N2O4 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methoxy-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methoxy-N-(2-phenylethyl)benzamide
PubChem CID23860685
Molecular FormulaC29H30N2O4
Molecular Weight470.57 g/mol
Exact Mass470.22
IUPAC NameN-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methoxy-N-(2-phenylethyl)benzamide
SMILESCOc1cccc(C(=O)N(CCc2ccccc2)C2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)c1
InChIInChI=1S/C29H30N2O4/c1-20(2)22-12-14-24(15-13-22)31-27(32)19-26(29(31)34)30(17-16-21-8-5-4-6-9-21)28(33)23-10-7-11-25(18-23)35-3/h4-15,18,20,26H,16-17,19H2,1-3H3
InChIKeyNYUVUNWPNMMUHR-UHFFFAOYSA-N
XLogP4.84
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.84
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-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(2-phenylethyl)benzamide
CID 23832245
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
CID 23915042
3-fluoro-N-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 1037119
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 1044893
N-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 41021064
ethyl 4-[3-[(3-methylbenzoyl)-(2-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23944573
N-[2-(3-chlorophenyl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetamide
CID 23802024
N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitro-N-(2-phenylethyl)benzamide
CID 23972555
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(1-phenylethyl)benzamide
CID 23888447
N-[2-(3-chlorophenyl)ethyl]-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23998853
N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethyl-N-(2-phenylethyl)butanamide
CID 23743857
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-N-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 51459921

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methoxy-N-(2-phenylethyl)benzamide?
The IUPAC name of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methoxy-N-(2-phenylethyl)benzamide (CID 23860685) is N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methoxy-N-(2-phenylethyl)benzamide.
What is the SMILES notation for N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methoxy-N-(2-phenylethyl)benzamide?
The canonical SMILES for N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methoxy-N-(2-phenylethyl)benzamide is COc1cccc(C(=O)N(CCc2ccccc2)C2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)c1.
What is the InChIKey of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methoxy-N-(2-phenylethyl)benzamide?
The InChIKey is NYUVUNWPNMMUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O4/c1-20(2)22-12-14-24(15-13-22)31-27(32)19-26(29(31)34)30(17-16-21-8-5-4-6-9-21)28(33)23-10-7-11-25(18-23)35-3/h4-15,18,20,26H,16-17,19H2,1-3H3.
What are the key properties of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methoxy-N-(2-phenylethyl)benzamide?
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methoxy-N-(2-phenylethyl)benzamide has a molecular weight of 470.57 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3-methoxy-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 23860685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).