3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-prop-2-enylpropanamide

C20H24N4O4 — CID 51808572

IUPAC3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CC[C@H]1NC(=O)N(CCc2c[nH]c3ccc(OC)cc23)C1=O
InChIInChI=1S/C20H24N4O4/c1-3-9-21-18(25)7-6-17-19(26)24(20(27)23-17)10-8-13-12-22-16-5-4-14(28-2)11-15(13)16/h3-5,11-12,17,22H,1,6-10H2,2H3,(H,21,25)(H,23,27)/t17-/m1/s1
InChIKeyCXGFVKPFIZMNOT-QGZVFWFLSA-N
MW384.44 g/mol
LogP1.72
Rot. Bonds9

About 3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-prop-2-enylpropanamide

3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-prop-2-enylpropanamide (PubChem CID 51808572) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-prop-2-enylpropanamide
PubChem CID51808572
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CC[C@H]1NC(=O)N(CCc2c[nH]c3ccc(OC)cc23)C1=O
InChIInChI=1S/C20H24N4O4/c1-3-9-21-18(25)7-6-17-19(26)24(20(27)23-17)10-8-13-12-22-16-5-4-14(28-2)11-15(13)16/h3-5,11-12,17,22H,1,6-10H2,2H3,(H,21,25)(H,23,27)/t17-/m1/s1
InChIKeyCXGFVKPFIZMNOT-QGZVFWFLSA-N
XLogP1.72
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-prop-2-enylpropanamide?
The IUPAC name of 3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-prop-2-enylpropanamide (CID 51808572) is 3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for 3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)CC[C@H]1NC(=O)N(CCc2c[nH]c3ccc(OC)cc23)C1=O.
What is the InChIKey of 3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-prop-2-enylpropanamide?
The InChIKey is CXGFVKPFIZMNOT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-3-9-21-18(25)7-6-17-19(26)24(20(27)23-17)10-8-13-12-22-16-5-4-14(28-2)11-15(13)16/h3-5,11-12,17,22H,1,6-10H2,2H3,(H,21,25)(H,23,27)/t17-/m1/s1.
What are the key properties of 3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-prop-2-enylpropanamide?
3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-prop-2-enylpropanamide has a molecular weight of 384.44 g/mol, XLogP of 1.72, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 51808572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).