N-(1-cyclobutylethyl)-N-[(3-fluorophenyl)methyl]-2-[3-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C27H29FN4O3 — CID 118962223

IUPACN-(1-cyclobutylethyl)-N-[(3-fluorophenyl)methyl]-2-[3-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(C1CCC1)N(Cc1cccc(F)c1)C(=O)CN1C(=O)CN(Cc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C27H29FN4O3/c1-18(20-7-5-8-20)31(14-19-6-4-9-22(28)12-19)26(34)17-32-25(33)16-30(27(32)35)15-21-13-29-24-11-3-2-10-23(21)24/h2-4,6,9-13,18,20,29H,5,7-8,14-17H2,1H3
InChIKeyNNTDGFKNXHUQSQ-UHFFFAOYSA-N
MW476.55 g/mol
LogP4.29
Rot. Bonds8

About N-(1-cyclobutylethyl)-N-[(3-fluorophenyl)methyl]-2-[3-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-(1-cyclobutylethyl)-N-[(3-fluorophenyl)methyl]-2-[3-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 118962223) has the molecular formula C27H29FN4O3 and a molecular weight of 476.55 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-N-[(3-fluorophenyl)methyl]-2-[3-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-N-[(3-fluorophenyl)methyl]-2-[3-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID118962223
Molecular FormulaC27H29FN4O3
Molecular Weight476.55 g/mol
Exact Mass476.22
IUPAC NameN-(1-cyclobutylethyl)-N-[(3-fluorophenyl)methyl]-2-[3-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(C1CCC1)N(Cc1cccc(F)c1)C(=O)CN1C(=O)CN(Cc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C27H29FN4O3/c1-18(20-7-5-8-20)31(14-19-6-4-9-22(28)12-19)26(34)17-32-25(33)16-30(27(32)35)15-21-13-29-24-11-3-2-10-23(21)24/h2-4,6,9-13,18,20,29H,5,7-8,14-17H2,1H3
InChIKeyNNTDGFKNXHUQSQ-UHFFFAOYSA-N
XLogP4.29
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-N-[(3-fluorophenyl)methyl]-2-[3-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(1-cyclobutylethyl)-N-[(3-fluorophenyl)methyl]-2-[3-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 118962223) is N-(1-cyclobutylethyl)-N-[(3-fluorophenyl)methyl]-2-[3-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyclobutylethyl)-N-[(3-fluorophenyl)methyl]-2-[3-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(1-cyclobutylethyl)-N-[(3-fluorophenyl)methyl]-2-[3-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CC(C1CCC1)N(Cc1cccc(F)c1)C(=O)CN1C(=O)CN(Cc2c[nH]c3ccccc23)C1=O.
What is the InChIKey of N-(1-cyclobutylethyl)-N-[(3-fluorophenyl)methyl]-2-[3-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is NNTDGFKNXHUQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O3/c1-18(20-7-5-8-20)31(14-19-6-4-9-22(28)12-19)26(34)17-32-25(33)16-30(27(32)35)15-21-13-29-24-11-3-2-10-23(21)24/h2-4,6,9-13,18,20,29H,5,7-8,14-17H2,1H3.
What are the key properties of N-(1-cyclobutylethyl)-N-[(3-fluorophenyl)methyl]-2-[3-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(1-cyclobutylethyl)-N-[(3-fluorophenyl)methyl]-2-[3-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 476.55 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-N-[(3-fluorophenyl)methyl]-2-[3-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 118962223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).