3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide

C23H24N4O4 — CID 124879535

IUPAC3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide
SMILESO=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N[C@@H]1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C23H24N4O4/c28-20(11-10-19-22(29)27(23(30)26-19)13-14-5-4-12-31-14)24-18-9-3-7-16-15-6-1-2-8-17(15)25-21(16)18/h1-2,4-6,8,12,18-19,25H,3,7,9-11,13H2,(H,24,28)(H,26,30)/t18-,19+/m1/s1
InChIKeyUKOYMZJBMOHQID-MOPGFXCFSA-N
MW420.47 g/mol
LogP3.16
Rot. Bonds6

About 3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide

3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide (PubChem CID 124879535) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide
PubChem CID124879535
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide
SMILESO=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N[C@@H]1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C23H24N4O4/c28-20(11-10-19-22(29)27(23(30)26-19)13-14-5-4-12-31-14)24-18-9-3-7-16-15-6-1-2-8-17(15)25-21(16)18/h1-2,4-6,8,12,18-19,25H,3,7,9-11,13H2,(H,24,28)(H,26,30)/t18-,19+/m1/s1
InChIKeyUKOYMZJBMOHQID-MOPGFXCFSA-N
XLogP3.16
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide
CID 124879536
N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-[(4R)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 126418717
N-(1-benzylpiperidin-4-yl)-3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75531749
N-(1H-benzimidazol-2-ylmethyl)-3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75357193
3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
CID 91821541
3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 91639750
2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 126418568
3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide
CID 73257802
3-[1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 110209925
2-[(4S)-1-(3-acetamidophenyl)-2,5-dioxoimidazolidin-4-yl]-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide
CID 110207168
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pentanamide
CID 124878863
(5R)-3-(furan-2-ylmethyl)-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 99870969

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide?
The IUPAC name of 3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide (CID 124879535) is 3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide.
What is the SMILES notation for 3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide?
The canonical SMILES for 3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide is O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N[C@@H]1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of 3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide?
The InChIKey is UKOYMZJBMOHQID-MOPGFXCFSA-N. The full InChI is InChI=1S/C23H24N4O4/c28-20(11-10-19-22(29)27(23(30)26-19)13-14-5-4-12-31-14)24-18-9-3-7-16-15-6-1-2-8-17(15)25-21(16)18/h1-2,4-6,8,12,18-19,25H,3,7,9-11,13H2,(H,24,28)(H,26,30)/t18-,19+/m1/s1.
What are the key properties of 3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide?
3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide has a molecular weight of 420.47 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]propanamide is sourced from PubChem (CID 124879535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).