N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide

C21H24N2O5 — CID 4261636

IUPACN-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCCCOc1ccc(N2C(=O)CC(N(Cc3ccco3)C(=O)CC)C2=O)cc1
InChIInChI=1S/C21H24N2O5/c1-3-11-27-16-9-7-15(8-10-16)23-20(25)13-18(21(23)26)22(19(24)4-2)14-17-6-5-12-28-17/h5-10,12,18H,3-4,11,13-14H2,1-2H3
InChIKeyFZGJHNBUWYHBDA-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.14
Rot. Bonds8

About N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide

N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 4261636) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID4261636
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC NameN-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCCCOc1ccc(N2C(=O)CC(N(Cc3ccco3)C(=O)CC)C2=O)cc1
InChIInChI=1S/C21H24N2O5/c1-3-11-27-16-9-7-15(8-10-16)23-20(25)13-18(21(23)26)22(19(24)4-2)14-17-6-5-12-28-17/h5-10,12,18H,3-4,11,13-14H2,1-2H3
InChIKeyFZGJHNBUWYHBDA-UHFFFAOYSA-N
XLogP3.14
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide (CID 4261636) is N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide is CCCOc1ccc(N2C(=O)CC(N(Cc3ccco3)C(=O)CC)C2=O)cc1.
What is the InChIKey of N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is FZGJHNBUWYHBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-3-11-27-16-9-7-15(8-10-16)23-20(25)13-18(21(23)26)22(19(24)4-2)14-17-6-5-12-28-17/h5-10,12,18H,3-4,11,13-14H2,1-2H3.
What are the key properties of N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide?
N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 384.43 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 4261636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).